CID 157010111

( not+/-)-trans-nerolidol

Structural Information

Molecular Formula
C13H22O
SMILES
C/C(=C\CCC(C)(C=C)O)/CCC=C
InChI
InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+
InChIKey
JIFKIUVSUFVKTE-ZRDIBKRKSA-N
Compound name
(6E)-3,7-dimethylundeca-1,6,10-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 149.8
[M+Na]+ 217.156288 155.0
[M-H]- 193.159794 148.0
[M+NH4]+ 212.200893 168.9
[M+K]+ 233.130228 151.6
[M+H-H2O]+ 177.164330 145.5
[M+HCOO]- 239.165271 168.2
[M+CH3COO]- 253.180921 185.4
[M+Na-2H]- 215.141736 152.3
[M]+ 194.16652142 150.1
[M]- 194.16761858 150.1
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.