CID 44256514

2,4-dimethyl-2e,4e-heptadien-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
CC/C=C(\C)/C=C(\C)/CO
InChI
InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h5-6,10H,4,7H2,1-3H3/b8-5+,9-6+
InChIKey
FOGJPHRWJKZCAO-XVYDYJIPSA-N
Compound name
(2E,4E)-2,4-dimethylhepta-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

140.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 134.3
[M+Na]+ 163.10934 140.2
[M-H]- 139.11284 133.0
[M+NH4]+ 158.15394 155.5
[M+K]+ 179.08328 138.5
[M+H-H2O]+ 123.11738 130.1
[M+HCOO]- 185.11832 154.3
[M+CH3COO]- 199.13397 174.1
[M+Na-2H]- 161.09479 136.8
[M]+ 140.11957 133.4
[M]- 140.12067 133.4
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