CID 31408

Nopol

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1(C2CC=C(C1C2)CCO)C

InChI

InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3

InChIKey

ROKSAUSPJGWCSM-UHFFFAOYSA-N

Compound name

2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 11
References: 5371
Patents: 166.13577 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]+	167.143046	149.1
[M+Na]+	189.124988	155.2
[M-H]-	165.128494	147.6
[M+NH4]+	184.169593	169.2
[M+K]+	205.098928	155.3
[M+H-H2O]+	149.133030	141.3
[M+HCOO]-	211.133971	162.1
[M+CH3COO]-	225.149621	186.8
[M+Na-2H]-	187.110436	158.3
[M]+	166.13522142	161.0
[M]-	166.13631858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe