CID 81358707

3-cyclopentyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C8H13FO2
SMILES
C1CCC(C1)CC(C(=O)O)F
InChI
InChI=1S/C8H13FO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5H2,(H,10,11)
InChIKey
SRTRWKBSNUQMLB-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.097226 135.4
[M+Na]+ 183.079168 140.3
[M-H]- 159.082674 135.5
[M+NH4]+ 178.123773 156.7
[M+K]+ 199.053108 139.3
[M+H-H2O]+ 143.087210 129.5
[M+HCOO]- 205.088151 154.0
[M+CH3COO]- 219.103801 174.0
[M+Na-2H]- 181.064616 136.2
[M]+ 160.08940142 130.5
[M]- 160.09049858 130.5
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

patents stripe