CID 13580

7-aminoheptanoic acid

Structural Information

Molecular Formula
C7H15NO2
SMILES
C(CCCN)CCC(=O)O
InChI
InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
InChIKey
XDOLZJYETYVRKV-UHFFFAOYSA-N
Compound name
7-aminoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

18221
Patents

145.11028 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.7
[M+Na]+ 168.09950 139.2
[M-H]- 144.10300 131.8
[M+NH4]+ 163.14410 153.8
[M+K]+ 184.07344 138.1
[M+H-H2O]+ 128.10754 128.6
[M+HCOO]- 190.10848 155.7
[M+CH3COO]- 204.12413 175.6
[M+Na-2H]- 166.08495 137.5
[M]+ 145.10973 133.1
[M]- 145.11083 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe