CID 12352610

(z,z)-3,6-dodecadien-1-ol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

48
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 147.2
[M+Na]+ 205.15629 152.3
[M-H]- 181.15979 145.2
[M+NH4]+ 200.20089 166.8
[M+K]+ 221.13023 149.0
[M+H-H2O]+ 165.16433 142.2
[M+HCOO]- 227.16527 168.3
[M+CH3COO]- 241.18092 181.6
[M+Na-2H]- 203.14174 150.7
[M]+ 182.16652 148.8
[M]- 182.16762 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

literature stripe

Patent stripe

patents stripe