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]+ 226.180156 153.2
[M+Na]+ 248.162098 153.8
[M-H]- 224.165604 156.4
[M+NH4]+ 243.206703 170.6
[M+K]+ 264.136038 154.6
[M+H-H2O]+ 208.170140 145.9
[M+HCOO]- 270.171081 167.5
[M+CH3COO]- 284.186731 186.1
[M+Na-2H]- 246.147546 153.2
[M]+ 225.17233142 142.9
[M]- 225.17342858 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.