CID 15650101

Alepramic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC(C=C1)CCC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10)
InChIKey
ZKEQEKIUJNGBRM-UHFFFAOYSA-N
Compound name
3-cyclopent-2-en-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.4
[M+Na]+ 163.07294 136.7
[M-H]- 139.07644 132.3
[M+NH4]+ 158.11754 152.9
[M+K]+ 179.04688 135.4
[M+H-H2O]+ 123.08098 125.4
[M+HCOO]- 185.08192 152.7
[M+CH3COO]- 199.09757 170.1
[M+Na-2H]- 161.05839 134.1
[M]+ 140.08317 128.8
[M]- 140.08427 128.8
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.