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

37
Patents

170.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 138.8
[M+Na]+ 193.083518 145.1
[M-H]- 169.087024 137.5
[M+NH4]+ 188.128123 158.7
[M+K]+ 209.057458 143.7
[M+H-H2O]+ 153.091560 134.2
[M+HCOO]- 215.092501 159.6
[M+CH3COO]- 229.108151 176.4
[M+Na-2H]- 191.068966 141.4
[M]+ 170.09375142 140.1
[M]- 170.09484858 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