CID 10582

Myrtenol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CC=C(C1C2)CO)C
InChI
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
InChIKey
RXBQNMWIQKOSCS-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

75
References

3707
Patents

152.12012 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 144.2
[M+Na]+ 175.10934 150.8
[M-H]- 151.11284 143.0
[M+NH4]+ 170.15394 165.0
[M+K]+ 191.08328 151.1
[M+H-H2O]+ 135.11738 136.7
[M+HCOO]- 197.11832 157.7
[M+CH3COO]- 211.13397 183.9
[M+Na-2H]- 173.09479 154.0
[M]+ 152.11957 155.9
[M]- 152.12067 155.9
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.