CID 11332459

2,4-dimethyl-2e,4e-hexadienal

Structural Information

Molecular Formula
C8H12O
SMILES
C/C=C(\C)/C=C(\C)/C=O
InChI
InChI=1S/C8H12O/c1-4-7(2)5-8(3)6-9/h4-6H,1-3H3/b7-4+,8-5+
InChIKey
JLRXGFYYIORWGF-NSLJXJERSA-N
Compound name
(2E,4E)-2,4-dimethylhexa-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

124.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.7
[M+Na]+ 147.07803 133.7
[M-H]- 123.08153 127.1
[M+NH4]+ 142.12263 149.2
[M+K]+ 163.05197 132.7
[M+H-H2O]+ 107.08607 122.6
[M+HCOO]- 169.08701 148.8
[M+CH3COO]- 183.10266 172.8
[M+Na-2H]- 145.06348 130.5
[M]+ 124.08826 126.7
[M]- 124.08936 126.7
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