CID 22235314

2-amino-2-(1-methylcyclohexyl)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCCC1)C(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-9(7(10)8(11)12)5-3-2-4-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKey
ZKVWUXSBUSFWDO-UHFFFAOYSA-N
Compound name
2-amino-2-(1-methylcyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

171.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.2
[M+Na]+ 194.11515 143.9
[M-H]- 170.11865 141.1
[M+NH4]+ 189.15975 160.8
[M+K]+ 210.08909 143.0
[M+H-H2O]+ 154.12319 135.5
[M+HCOO]- 216.12413 157.9
[M+CH3COO]- 230.13978 178.5
[M+Na-2H]- 192.10060 142.7
[M]+ 171.12538 133.4
[M]- 171.12648 133.4
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