CID 146155601

2416229-29-1

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
COC(=O)C1(CC1(F)F)CN
InChI
InChI=1S/C6H9F2NO2/c1-11-4(10)5(3-9)2-6(5,7)8/h2-3,9H2,1H3
InChIKey
PIDGRKZVOXEHIZ-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06013 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 127.5
[M+Na]+ 188.04935 138.2
[M-H]- 164.05285 130.1
[M+NH4]+ 183.09395 146.7
[M+K]+ 204.02329 137.5
[M+H-H2O]+ 148.05739 122.9
[M+HCOO]- 210.05833 148.9
[M+CH3COO]- 224.07398 182.2
[M+Na-2H]- 186.03480 133.9
[M]+ 165.05958 128.8
[M]- 165.06068 128.8
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

No patent data available for this compound.