CID 6441992

2,4-hexadienoic acid, 2-hydroxypropyl ester, (2e,4e)-

Structural Information

Molecular Formula
C9H14O3
SMILES
C/C=C/C=C/C(=O)OCC(C)O
InChI
InChI=1S/C9H14O3/c1-3-4-5-6-9(11)12-7-8(2)10/h3-6,8,10H,7H2,1-2H3/b4-3+,6-5+
InChIKey
HVTJOXLPLJPOJO-VNKDHWASSA-N
Compound name
2-hydroxypropyl (2E,4E)-hexa-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

170.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 138.8
[M+Na]+ 193.08352 145.1
[M-H]- 169.08702 137.5
[M+NH4]+ 188.12812 158.7
[M+K]+ 209.05746 143.7
[M+H-H2O]+ 153.09156 134.2
[M+HCOO]- 215.09250 159.6
[M+CH3COO]- 229.10815 176.4
[M+Na-2H]- 191.06897 141.4
[M]+ 170.09375 140.1
[M]- 170.09485 140.1
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