CID 21866552

2-amino-2-cycloheptylacetic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCCC(CC1)C(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h7-8H,1-6,10H2,(H,11,12)
InChIKey
GMLQOIMQMLOTNY-UHFFFAOYSA-N
Compound name
2-amino-2-cycloheptylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

171.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 134.5
[M+Na]+ 194.115148 135.3
[M-H]- 170.118654 136.3
[M+NH4]+ 189.159753 151.6
[M+K]+ 210.089088 139.2
[M+H-H2O]+ 154.123190 129.2
[M+HCOO]- 216.124131 151.6
[M+CH3COO]- 230.139781 180.9
[M+Na-2H]- 192.100596 135.9
[M]+ 171.12538142 124.5
[M]- 171.12647858 124.5
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

patents stripe