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: 4
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]+	101.09609	119.5
[M+Na]+	123.07803	128.1
[M-H]-	99.081534	123.0
[M+NH4]+	118.12263	137.3
[M+K]+	139.05197	126.7
[M+H-H2O]+	83.086070	114.3
[M+HCOO]-	145.08701	141.5
[M+CH3COO]-	159.10266	169.7
[M+Na-2H]-	121.06348	125.7
[M]+	100.08826	120.9
[M]-	100.08936	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe