CID 20836325

(2e,6z)-dodeca-2,6-dienol

Structural Information

Molecular Formula
C12H22O
SMILES
CCCCC/C=C\CC/C=C/CO
InChI
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3/b7-6-,11-10+
InChIKey
UFPCISMLRCAWMQ-JFEAUALZSA-N
Compound name
(2E,6Z)-dodeca-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 147.2
[M+Na]+ 205.156288 152.3
[M-H]- 181.159794 145.2
[M+NH4]+ 200.200893 166.8
[M+K]+ 221.130228 149.0
[M+H-H2O]+ 165.164330 142.2
[M+HCOO]- 227.165271 168.3
[M+CH3COO]- 241.180921 181.6
[M+Na-2H]- 203.141736 150.7
[M]+ 182.16652142 148.8
[M]- 182.16761858 148.8
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.