CID 5319723

Cis-myrcenol 8

Structural Information

Molecular Formula
C10H16O
SMILES
C/C(=C\CCC(=C)C=C)/CO
InChI
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+
InChIKey
IEVYLQISZQFFGA-JXMROGBWSA-N
Compound name
(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

66
Patents

152.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 137.0
[M+Na]+ 175.10934 142.7
[M-H]- 151.11284 135.5
[M+NH4]+ 170.15394 157.5
[M+K]+ 191.08328 140.1
[M+H-H2O]+ 135.11738 132.6
[M+HCOO]- 197.11832 156.9
[M+CH3COO]- 211.13397 176.8
[M+Na-2H]- 173.09479 139.1
[M]+ 152.11957 135.9
[M]- 152.12067 135.9
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