CID 75987722

Schembl6275006

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=CCCC(=CCCC(C)(C1CO1)O)C)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15(4,16)14-11-17-14/h7,9,14,16H,5-6,8,10-11H2,1-4H3
InChIKey
CLIDOAFOSTWHAW-UHFFFAOYSA-N
Compound name
6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 158.3
[M+Na]+ 261.18250 164.2
[M-H]- 237.18600 161.4
[M+NH4]+ 256.22710 169.7
[M+K]+ 277.15644 161.6
[M+H-H2O]+ 221.19054 152.3
[M+HCOO]- 283.19148 174.7
[M+CH3COO]- 297.20713 195.6
[M+Na-2H]- 259.16795 160.5
[M]+ 238.19273 162.6
[M]- 238.19383 162.6
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