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

20
Patents

171.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 134.5
[M+Na]+ 194.11515 135.3
[M-H]- 170.11865 136.3
[M+NH4]+ 189.15975 151.6
[M+K]+ 210.08909 139.2
[M+H-H2O]+ 154.12319 129.2
[M+HCOO]- 216.12413 151.6
[M+CH3COO]- 230.13978 180.9
[M+Na-2H]- 192.10060 135.9
[M]+ 171.12538 124.5
[M]- 171.12648 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