CID 201615

Alpha-isopropyl-alpha-1-naphthyl-1-piperidinebutyric acid hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C)C(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C22H29NO2/c1-17(2)22(21(24)25,13-16-23-14-6-3-7-15-23)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3,(H,24,25)
InChIKey
YAQAQWBGGABJFR-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanoic 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 184.7
[M+Na]+ 362.20904 186.3
[M-H]- 338.21254 187.3
[M+NH4]+ 357.25364 196.1
[M+K]+ 378.18298 181.6
[M+H-H2O]+ 322.21708 175.8
[M+HCOO]- 384.21802 195.8
[M+CH3COO]- 398.23367 211.2
[M+Na-2H]- 360.19449 186.0
[M]+ 339.21927 180.3
[M]- 339.22037 180.3
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.