CID 536562

(1r,2s,3s,6s)-2-caranol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1CCC2C(C1O)C2(C)C

InChI

InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3

InChIKey

RPPLFPVIBFQGJC-UHFFFAOYSA-N

Compound name

3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 154.13577 Da
Monoisotopic Mass: 2.6
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]+	155.14305	134.3
[M+Na]+	177.12499	144.3
[M-H]-	153.12849	138.9
[M+NH4]+	172.16959	153.7
[M+K]+	193.09893	141.9
[M+H-H2O]+	137.13303	130.4
[M+HCOO]-	199.13397	152.5
[M+CH3COO]-	213.14962	181.3
[M+Na-2H]-	175.11044	139.8
[M]+	154.13522	135.4
[M]-	154.13632	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe