CID 61126

Verbenol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CC(C2CC1C2(C)C)O

InChI

InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3

InChIKey

WONIGEXYPVIKFS-UHFFFAOYSA-N

Compound name

4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 78
References: 2043
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	144.6
[M+Na]+	175.10934	151.9
[M-H]-	151.11284	143.6
[M+NH4]+	170.15394	165.6
[M+K]+	191.08328	152.3
[M+H-H2O]+	135.11738	137.4
[M+HCOO]-	197.11832	157.9
[M+CH3COO]-	211.13397	185.0
[M+Na-2H]-	173.09479	153.7
[M]+	152.11957	156.5
[M]-	152.12067	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe