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

7
Annotation Hits: 76
References: 3549
Patents: 152.12012 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe