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

37
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 141.5
[M+Na]+ 216.08065 148.6
[M+NH4]+ 211.12525 150.3
[M+K]+ 232.05459 140.9
[M-H]- 192.08415 139.7
[M+Na-2H]- 214.06610 146.8
[M]+ 193.09088 141.8
[M]- 193.09198 141.8
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