CID 25164042

7-hydroxy-6-methylhepta-3,5-dienal

Structural Information

Molecular Formula
C8H12O2
SMILES
C/C(=C\C=C\CC=O)/CO
InChI
InChI=1S/C8H12O2/c1-8(7-10)5-3-2-4-6-9/h2-3,5-6,10H,4,7H2,1H3/b3-2+,8-5+
InChIKey
ARBHCEGTLUXZRX-YNRRLODASA-N
Compound name
(3E,5E)-7-hydroxy-6-methylhepta-3,5-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.9
[M+Na]+ 163.07294 137.7
[M-H]- 139.07644 129.6
[M+NH4]+ 158.11754 152.0
[M+K]+ 179.04688 135.6
[M+H-H2O]+ 123.08098 126.6
[M+HCOO]- 185.08192 152.7
[M+CH3COO]- 199.09757 171.2
[M+Na-2H]- 161.05839 135.2
[M]+ 140.08317 131.0
[M]- 140.08427 131.0
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.