CID 139026511

2361608-80-0

Structural Information

Molecular Formula
C8H14FNO2
SMILES
COC(=O)[C@@H]1CC[C@@](C1)(CN)F
InChI
InChI=1S/C8H14FNO2/c1-12-7(11)6-2-3-8(9,4-6)5-10/h6H,2-5,10H2,1H3/t6-,8-/m1/s1
InChIKey
PYSPAVHHWWZRNE-HTRCEHHLSA-N
Compound name
cis-methyl (1R,3R)-3-(aminomethyl)-3-fluorocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10086 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.108136 136.5
[M+Na]+ 198.090078 143.2
[M-H]- 174.093584 138.2
[M+NH4]+ 193.134683 159.9
[M+K]+ 214.064018 142.3
[M+H-H2O]+ 158.098120 131.2
[M+HCOO]- 220.099061 158.2
[M+CH3COO]- 234.114711 180.0
[M+Na-2H]- 196.075526 139.1
[M]+ 175.10031142 133.0
[M]- 175.10140858 133.0
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.