CID 10888360

Methyl 1-amino-4-methylcyclohexane-1-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1CCC(CC1)(C(=O)OC)N
InChI
InChI=1S/C9H17NO2/c1-7-3-5-9(10,6-4-7)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKey
QXRALRQVSKYBDB-UHFFFAOYSA-N
Compound name
methyl 1-amino-4-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

171.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.5
[M+Na]+ 194.11515 143.9
[M-H]- 170.11865 141.2
[M+NH4]+ 189.15975 160.3
[M+K]+ 210.08909 143.4
[M+H-H2O]+ 154.12319 133.7
[M+HCOO]- 216.12413 158.7
[M+CH3COO]- 230.13978 180.6
[M+Na-2H]- 192.10060 142.2
[M]+ 171.12538 134.5
[M]- 171.12648 134.5
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