CID 46545

64038-75-1

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CCN(C1)CCC(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H21NO2/c20-18(21)17(10-13-19-11-3-4-12-19)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,17H,3-4,10-13H2,(H,20,21)
InChIKey
MQHRLWDCJCZSHN-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-pyrrolidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 168.2
[M+Na]+ 306.146448 172.3
[M-H]- 282.149954 172.0
[M+NH4]+ 301.191053 184.0
[M+K]+ 322.120388 167.8
[M+H-H2O]+ 266.154490 160.1
[M+HCOO]- 328.155431 184.7
[M+CH3COO]- 342.171081 198.3
[M+Na-2H]- 304.131896 168.9
[M]+ 283.15668142 165.2
[M]- 283.15777858 165.2
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.