CID 142315

Beta-caran-3-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2C1CC(CC2)(C)O)C

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3

InChIKey

ZOKKRMIFZVQTTP-UHFFFAOYSA-N

Compound name

3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	155.143046	135.5
[M+Na]+	177.124988	145.4
[M-H]-	153.128494	140.1
[M+NH4]+	172.169593	156.4
[M+K]+	193.098928	143.9
[M+H-H2O]+	137.133030	132.3
[M+HCOO]-	199.133971	153.3
[M+CH3COO]-	213.149621	180.0
[M+Na-2H]-	175.110436	142.5
[M]+	154.13522142	136.7
[M]-	154.13631858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe