CID 143488886

2445786-01-4

Structural Information

Molecular Formula
C7H10FNO3
SMILES
C1CN(CCC1C(=O)O)C(=O)F
InChI
InChI=1S/C7H10FNO3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H,10,11)
InChIKey
AELSMNJDQIPPKF-UHFFFAOYSA-N
Compound name
1-carbonofluoridoylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06447 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07175 134.6
[M+Na]+ 198.05369 140.3
[M-H]- 174.05719 133.6
[M+NH4]+ 193.09829 152.4
[M+K]+ 214.02763 139.5
[M+H-H2O]+ 158.06173 127.8
[M+HCOO]- 220.06267 150.7
[M+CH3COO]- 234.07832 175.7
[M+Na-2H]- 196.03914 136.7
[M]+ 175.06392 128.9
[M]- 175.06502 128.9
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.