CID 3776

Isopropanol

Structural Information

Molecular Formula

SMILES

CC(C)O

InChI

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChIKey

KFZMGEQAYNKOFK-UHFFFAOYSA-N

Compound name

propan-2-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 8211
References: 313576
Patents: 60.057514 Da
Monoisotopic Mass: 0.3
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]+	61.064790	108.4
[M+Na]+	83.046732	119.2
[M+NH4]+	78.091337	117.3
[M+K]+	99.020672	114.6
[M-H]-	59.050238	108.0
[M+Na-2H]-	81.032180	113.0
[M]+	60.056965	109.6
[M]-	60.058063	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe