CID 11521066

Oxetan-3-ylmethanol

Structural Information

Molecular Formula
C4H8O2
SMILES
C1C(CO1)CO
InChI
InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2
InChIKey
SWYHWLFHDVMLHO-UHFFFAOYSA-N
Compound name
oxetan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2156
Patents

88.05243 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 109.1
[M+Na]+ 111.041648 115.1
[M-H]- 87.045154 112.2
[M+NH4]+ 106.086253 124.4
[M+K]+ 127.015588 119.3
[M+H-H2O]+ 71.049690 100.0
[M+HCOO]- 133.050631 130.1
[M+CH3COO]- 147.066281 164.2
[M+Na-2H]- 109.027096 118.0
[M]+ 88.05188142 117.1
[M]- 88.05297858 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe