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
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]+ 176.10814 136.5
[M+Na]+ 198.09008 143.2
[M-H]- 174.09358 138.2
[M+NH4]+ 193.13468 159.9
[M+K]+ 214.06402 142.3
[M+H-H2O]+ 158.09812 131.2
[M+HCOO]- 220.09906 158.2
[M+CH3COO]- 234.11471 180.0
[M+Na-2H]- 196.07553 139.1
[M]+ 175.10031 133.0
[M]- 175.10141 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.