CID 12182220

Trans-cyclobutane-1,2-diol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

C1C[C@H]([C@@H]1O)O

InChI

InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1

InChIKey

MHPMXFUDCYMCOE-QWWZWVQMSA-N

Compound name

trans-(1R,2R)-cyclobutane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 88.05243 Da
Monoisotopic Mass: -0.5
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]+	89.059706	112.4
[M+Na]+	111.041648	118.8
[M-H]-	87.045154	113.8
[M+NH4]+	106.086253	128.5
[M+K]+	127.015588	121.1
[M+H-H2O]+	71.049690	103.6
[M+HCOO]-	133.050631	132.6
[M+CH3COO]-	147.066281	162.9
[M+Na-2H]-	109.027096	118.7
[M]+	88.05188142	118.2
[M]-	88.05297858	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe