CID 5282707

2-hexenoic acid, (2e)-

Structural Information

Molecular Formula
C6H10O2
SMILES
CCC/C=C/C(=O)O
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKey
NIONDZDPPYHYKY-SNAWJCMRSA-N
Compound name
(E)-hex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

11827
Patents

114.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.0
[M+Na]+ 137.05730 130.3
[M-H]- 113.06080 122.1
[M+NH4]+ 132.10190 145.1
[M+K]+ 153.03124 129.4
[M+H-H2O]+ 97.065340 119.0
[M+HCOO]- 159.06628 145.2
[M+CH3COO]- 173.08193 166.7
[M+Na-2H]- 135.04275 128.4
[M]+ 114.06753 123.2
[M]- 114.06863 123.2
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