CID 21303779

Methyl 1-(methylamino)cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CNC1(CCCCC1)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3
InChIKey
VVFFJVYBIIFJOA-UHFFFAOYSA-N
Compound name
methyl 1-(methylamino)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

171.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 138.6
[M+Na]+ 194.115148 143.0
[M-H]- 170.118654 141.5
[M+NH4]+ 189.159753 160.4
[M+K]+ 210.089088 142.9
[M+H-H2O]+ 154.123190 133.5
[M+HCOO]- 216.124131 159.5
[M+CH3COO]- 230.139781 180.1
[M+Na-2H]- 192.100596 144.0
[M]+ 171.12538142 135.2
[M]- 171.12647858 135.2
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