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

39
Patents

193.09143 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09871 138.3
[M+Na]+ 216.08065 145.2
[M-H]- 192.08415 138.7
[M+NH4]+ 211.12525 161.1
[M+K]+ 232.05459 144.4
[M+H-H2O]+ 176.08869 132.7
[M+HCOO]- 238.08963 156.7
[M+CH3COO]- 252.10528 182.8
[M+Na-2H]- 214.06610 142.6
[M]+ 193.09088 132.0
[M]- 193.09198 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