CID 62271930

2230802-92-1

Structural Information

Molecular Formula
C13H23NO2
SMILES
C1CCCN(CC1)CC2(CCCC2)C(=O)O
InChI
InChI=1S/C13H23NO2/c15-12(16)13(7-3-4-8-13)11-14-9-5-1-2-6-10-14/h1-11H2,(H,15,16)
InChIKey
SCFDXNHTQVOAAQ-UHFFFAOYSA-N
Compound name
1-(azepan-1-ylmethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17288 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 153.1
[M+Na]+ 248.16210 158.8
[M+NH4]+ 243.20670 161.0
[M+K]+ 264.13604 155.3
[M-H]- 224.16560 154.0
[M+Na-2H]- 246.14755 157.6
[M]+ 225.17233 153.9
[M]- 225.17343 153.9
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.