CID 70313684

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

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC[C@@H](C1CC1)O

InChI

InChI=1S/C6H12O/c1-2-6(7)5-3-4-5/h5-7H,2-4H2,1H3/t6-/m0/s1

InChIKey

ZVTCOQDWIJYYSQ-LURJTMIESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 100.08881 Da
Monoisotopic Mass: 1.2
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	120.4
[M+Na]+	123.07803	132.1
[M+NH4]+	118.12263	129.7
[M+K]+	139.05197	128.6
[M-H]-	99.081534	128.0
[M+Na-2H]-	121.06348	128.0
[M]+	100.08826	125.2
[M]-	100.08936	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe