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]+ 180.08307 132.6
[M+Na]+ 202.06501 140.8
[M-H]- 178.06851 133.5
[M+NH4]+ 197.10961 157.8
[M+K]+ 218.03895 139.9
[M+H-H2O]+ 162.07305 127.7
[M+HCOO]- 224.07399 153.5
[M+CH3COO]- 238.08964 179.5
[M+Na-2H]- 200.05046 136.6
[M]+ 179.07524 128.0
[M]- 179.07634 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.