CID 59718808

Methyl 1-amino-4,4-difluorocyclohexane-1-carboxylate

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
COC(=O)C1(CCC(CC1)(F)F)N
InChI
InChI=1S/C8H13F2NO2/c1-13-6(12)7(11)2-4-8(9,10)5-3-7/h2-5,11H2,1H3
InChIKey
MXZJFANNNXYGJK-UHFFFAOYSA-N
Compound name
methyl 1-amino-4,4-difluorocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

193.09143 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098706 138.3
[M+Na]+ 216.080648 145.2
[M-H]- 192.084154 138.7
[M+NH4]+ 211.125253 161.1
[M+K]+ 232.054588 144.4
[M+H-H2O]+ 176.088690 132.7
[M+HCOO]- 238.089631 156.7
[M+CH3COO]- 252.105281 182.8
[M+Na-2H]- 214.066096 142.6
[M]+ 193.09088142 132.0
[M]- 193.09197858 132.0
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