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]+ 284.16451 168.2
[M+Na]+ 306.14645 172.3
[M-H]- 282.14995 172.0
[M+NH4]+ 301.19105 184.0
[M+K]+ 322.12039 167.8
[M+H-H2O]+ 266.15449 160.1
[M+HCOO]- 328.15543 184.7
[M+CH3COO]- 342.17108 198.3
[M+Na-2H]- 304.13190 168.9
[M]+ 283.15668 165.2
[M]- 283.15778 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.