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

53
Patents

182.16707 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe