CID 75539610

(2s)-1-cyclopropylpropan-2-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

C[C@@H](CC1CC1)O

InChI

InChI=1S/C6H12O/c1-5(7)4-6-2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1

InChIKey

KNQQUHYWTTUEQJ-YFKPBYRVSA-N

Compound name

(2S)-1-cyclopropylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 100.08881 Da
Monoisotopic Mass: 1.4
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]+	101.096086	119.5
[M+Na]+	123.078028	128.1
[M-H]-	99.081534	123.0
[M+NH4]+	118.122633	137.3
[M+K]+	139.051968	126.7
[M+H-H2O]+	83.086070	114.3
[M+HCOO]-	145.087011	141.5
[M+CH3COO]-	159.102661	169.7
[M+Na-2H]-	121.063476	125.7
[M]+	100.08826142	120.9
[M]-	100.08935858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe