CID 71743826

2-cyclopropylcyclobutanol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC1C2CCC2O

InChI

InChI=1S/C7H12O/c8-7-4-3-6(7)5-1-2-5/h5-8H,1-4H2

InChIKey

MWMNUFYGXSZDQB-UHFFFAOYSA-N

Compound name

2-cyclopropylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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]+	113.09609	116.7
[M+Na]+	135.07803	124.5
[M-H]-	111.08153	123.3
[M+NH4]+	130.12263	128.2
[M+K]+	151.05197	125.5
[M+H-H2O]+	95.086070	106.9
[M+HCOO]-	157.08701	137.9
[M+CH3COO]-	171.10266	174.7
[M+Na-2H]-	133.06348	123.1
[M]+	112.08826	125.0
[M]-	112.08936	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe