CID 13595226

22515-23-7

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1(CO1)C(C)(C)O

InChI

InChI=1S/C6H12O2/c1-5(2,7)6(3)4-8-6/h7H,4H2,1-3H3

InChIKey

RRNYKUMJNZHGBP-UHFFFAOYSA-N

Compound name

2-(2-methyloxiran-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 116.08373 Da
Monoisotopic Mass: 0.0
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]+	117.09101	122.7
[M+Na]+	139.07295	132.6
[M-H]-	115.07645	127.5
[M+NH4]+	134.11755	140.8
[M+K]+	155.04689	133.6
[M+H-H2O]+	99.080990	119.2
[M+HCOO]-	161.08193	143.0
[M+CH3COO]-	175.09758	170.6
[M+Na-2H]-	137.05840	132.9
[M]+	116.08318	126.9
[M]-	116.08428	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe