CID 11959091

Methyl 2-amino-2-cyclohexylacetate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC(=O)C(C1CCCCC1)N
InChI
InChI=1S/C9H17NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7-8H,2-6,10H2,1H3
InChIKey
UUSVVDQFPGXFTQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

171.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.0
[M+Na]+ 194.11515 143.2
[M-H]- 170.11865 142.0
[M+NH4]+ 189.15975 159.3
[M+K]+ 210.08909 143.0
[M+H-H2O]+ 154.12319 134.0
[M+HCOO]- 216.12413 159.2
[M+CH3COO]- 230.13978 180.8
[M+Na-2H]- 192.10060 141.9
[M]+ 171.12538 134.6
[M]- 171.12648 134.6
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