CID 5365818

4,8-dimethyl-3,7-nonadien-2-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CC(/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
InChIKey
NYPOJSCNHYUZRG-CSKARUKUSA-N
Compound name
(3E)-4,8-dimethylnona-3,7-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

188
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 143.6
[M+Na]+ 191.14063 148.5
[M-H]- 167.14413 142.0
[M+NH4]+ 186.18523 163.6
[M+K]+ 207.11457 146.7
[M+H-H2O]+ 151.14867 139.1
[M+HCOO]- 213.14961 162.0
[M+CH3COO]- 227.16526 181.0
[M+Na-2H]- 189.12608 143.8
[M]+ 168.15086 142.8
[M]- 168.15196 142.8
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