CID 6155526

Trans-4-hydroxycrotonic acid

Structural Information

Molecular Formula
C4H6O3
SMILES
C(/C=C/C(=O)O)O
InChI
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
InChIKey
RMQJECWPWQIIPW-OWOJBTEDSA-N
Compound name
(E)-4-hydroxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

631
Patents

102.03169 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.6
[M+Na]+ 125.02091 125.2
[M-H]- 101.02441 115.5
[M+NH4]+ 120.06551 139.3
[M+K]+ 140.99485 124.3
[M+H-H2O]+ 85.028950 113.9
[M+HCOO]- 147.02989 139.2
[M+CH3COO]- 161.04554 160.0
[M+Na-2H]- 123.00636 123.5
[M]+ 102.03114 116.5
[M]- 102.03224 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe