CID 12425338

(2,2-dimethylcyclobutyl)methanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC1(CCC1CO)C

InChI

InChI=1S/C7H14O/c1-7(2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3

InChIKey

KDDFEANSQQUNGO-UHFFFAOYSA-N

Compound name

(2,2-dimethylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.10446 Da
Monoisotopic Mass: 1.7
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]+	115.11174	123.3
[M+Na]+	137.09368	129.8
[M+NH4]+	132.13828	129.7
[M+K]+	153.06762	124.5
[M-H]-	113.09718	121.9
[M+Na-2H]-	135.07913	127.3
[M]+	114.10391	122.7
[M]-	114.10501	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe