CID 23378

1-aminocycloheptanecarboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCCC(CC1)(C(=O)O)N
InChI
InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
InChIKey
IINRZEIPFQHEAP-UHFFFAOYSA-N
Compound name
1-aminocycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2428
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 130.8
[M+Na]+ 180.09950 133.2
[M-H]- 156.10300 133.0
[M+NH4]+ 175.14410 150.4
[M+K]+ 196.07344 136.3
[M+H-H2O]+ 140.10754 126.2
[M+HCOO]- 202.10848 149.0
[M+CH3COO]- 216.12413 176.8
[M+Na-2H]- 178.08495 134.9
[M]+ 157.10973 121.3
[M]- 157.11083 121.3
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