CID 52911206

1269291-96-4

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(C)C1CC(C1)CO

InChI

InChI=1S/C8H16O/c1-6(2)8-3-7(4-8)5-9/h6-9H,3-5H2,1-2H3

InChIKey

FVHPFGGDBCIDRZ-UHFFFAOYSA-N

Compound name

(3-propan-2-ylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 128.12012 Da
Monoisotopic Mass: 1.9
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]+	129.127396	128.7
[M+Na]+	151.109338	133.8
[M-H]-	127.112844	130.9
[M+NH4]+	146.153943	144.0
[M+K]+	167.083278	136.0
[M+H-H2O]+	111.117380	119.3
[M+HCOO]-	173.118321	148.0
[M+CH3COO]-	187.133971	176.1
[M+Na-2H]-	149.094786	132.1
[M]+	128.11957142	135.8
[M]-	128.12066858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe