CID 1502057

1033756-97-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC[C@@H]([C@@H](CC1)N)C(=O)O
InChI
InChI=1S/C8H15NO2/c9-7-5-3-1-2-4-6(7)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m0/s1
InChIKey
QKYSUVFRBTZYIQ-NKWVEPMBSA-N
Compound name
(1S,2R)-2-aminocycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 129.8
[M+Na]+ 180.09950 132.2
[M-H]- 156.10300 132.1
[M+NH4]+ 175.14410 147.9
[M+K]+ 196.07344 135.8
[M+H-H2O]+ 140.10754 124.9
[M+HCOO]- 202.10848 148.2
[M+CH3COO]- 216.12413 178.3
[M+Na-2H]- 178.08495 132.3
[M]+ 157.10973 120.5
[M]- 157.11083 120.5
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