CID 97932

6627-74-3

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1=CCCC(C1CO)(C)C

InChI

InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3

InChIKey

WFBRXMMODZGJPF-UHFFFAOYSA-N

Compound name

(2,6,6-trimethylcyclohex-2-en-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 154.13577 Da
Monoisotopic Mass: 2.1
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]+	155.14305	133.7
[M+Na]+	177.12499	141.1
[M-H]-	153.12849	136.3
[M+NH4]+	172.16959	156.8
[M+K]+	193.09893	139.4
[M+H-H2O]+	137.13303	129.8
[M+HCOO]-	199.13397	153.9
[M+CH3COO]-	213.14962	176.3
[M+Na-2H]-	175.11044	138.9
[M]+	154.13522	131.8
[M]-	154.13632	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe