CID 23186

1-naphthaleneacetic acid, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-, hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C)C(CCCN1CCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C22H29NO2/c1-17(2)22(21(24)25,13-8-16-23-14-5-6-15-23)20-12-7-10-18-9-3-4-11-19(18)20/h3-4,7,9-12,17H,5-6,8,13-16H2,1-2H3,(H,24,25)
InChIKey
KUTQZLYSUQZHQI-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 186.4
[M+Na]+ 362.20904 189.0
[M-H]- 338.21254 189.7
[M+NH4]+ 357.25364 199.9
[M+K]+ 378.18298 184.2
[M+H-H2O]+ 322.21708 178.3
[M+HCOO]- 384.21802 199.8
[M+CH3COO]- 398.23367 210.6
[M+Na-2H]- 360.19449 185.9
[M]+ 339.21927 184.3
[M]- 339.22037 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.