CID 251166

Nsc71408

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(CCC(CC=C)(CC=C)O)(CC=C)O
InChI
InChI=1S/C14H24O2/c1-5-8-13(4,15)11-12-14(16,9-6-2)10-7-3/h5-7,15-16H,1-3,8-12H2,4H3
InChIKey
POPRNACALQSHCN-UHFFFAOYSA-N
Compound name
4-methyl-7-prop-2-enyldeca-1,9-diene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.5
[M+Na]+ 247.16685 162.4
[M-H]- 223.17035 154.2
[M+NH4]+ 242.21145 174.6
[M+K]+ 263.14079 158.2
[M+H-H2O]+ 207.17489 153.6
[M+HCOO]- 269.17583 173.7
[M+CH3COO]- 283.19148 188.0
[M+Na-2H]- 245.15230 161.0
[M]+ 224.17708 157.9
[M]- 224.17818 157.9
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.