CID 94046

2226-05-3

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1(C2CCC(C2)C1=CCO)C

InChI

InChI=1S/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3

InChIKey

JGDHOHFQJJATNG-UHFFFAOYSA-N

Compound name

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 166.13577 Da
Monoisotopic Mass: 2.3
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]+	167.14305	140.7
[M+Na]+	189.12499	148.6
[M-H]-	165.12849	142.3
[M+NH4]+	184.16959	168.2
[M+K]+	205.09893	145.1
[M+H-H2O]+	149.13303	137.7
[M+HCOO]-	211.13397	160.2
[M+CH3COO]-	225.14962	177.3
[M+Na-2H]-	187.11044	143.4
[M]+	166.13522	138.9
[M]-	166.13632	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe