CID 169202

Grandisol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=C)[C@@H]1CC[C@]1(C)CCO

InChI

InChI=1S/C10H18O/c1-8(2)9-4-5-10(9,3)6-7-11/h9,11H,1,4-7H2,2-3H3/t9-,10+/m0/s1

InChIKey

SJKPJXGGNKMRPD-VHSXEESVSA-N

Compound name

2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 1437
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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	137.7
[M+Na]+	177.12499	143.1
[M-H]-	153.12849	140.0
[M+NH4]+	172.16959	153.8
[M+K]+	193.09893	144.2
[M+H-H2O]+	137.13303	129.4
[M+HCOO]-	199.13397	156.4
[M+CH3COO]-	213.14962	180.7
[M+Na-2H]-	175.11044	141.0
[M]+	154.13522	145.1
[M]-	154.13632	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe