CID 115015297

2225878-58-8

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1(CCC(C1)(F)F)N
InChI
InChI=1S/C7H11F2NO2/c1-12-5(11)6(10)2-3-7(8,9)4-6/h2-4,10H2,1H3
InChIKey
COGYGINJHMHDCJ-UHFFFAOYSA-N
Compound name
methyl 1-amino-3,3-difluorocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 132.6
[M+Na]+ 202.065008 140.8
[M-H]- 178.068514 133.5
[M+NH4]+ 197.109613 157.8
[M+K]+ 218.038948 139.9
[M+H-H2O]+ 162.073050 127.7
[M+HCOO]- 224.073991 153.5
[M+CH3COO]- 238.089641 179.5
[M+Na-2H]- 200.050456 136.6
[M]+ 179.07524142 128.0
[M]- 179.07633858 128.0
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

No patent data available for this compound.