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 153.2
[M+Na]+ 248.16210 153.8
[M-H]- 224.16560 156.4
[M+NH4]+ 243.20670 170.6
[M+K]+ 264.13604 154.6
[M+H-H2O]+ 208.17014 145.9
[M+HCOO]- 270.17108 167.5
[M+CH3COO]- 284.18673 186.1
[M+Na-2H]- 246.14755 153.2
[M]+ 225.17233 142.9
[M]- 225.17343 142.9
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.