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

276
Patents

171.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.0
[M+Na]+ 194.115148 143.2
[M-H]- 170.118654 142.0
[M+NH4]+ 189.159753 159.3
[M+K]+ 210.089088 143.0
[M+H-H2O]+ 154.123190 134.0
[M+HCOO]- 216.124131 159.2
[M+CH3COO]- 230.139781 180.8
[M+Na-2H]- 192.100596 141.9
[M]+ 171.12538142 134.6
[M]- 171.12647858 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