CID 12284142

Oxetan-2-ylmethanol

Structural Information

Molecular Formula
C4H8O2
SMILES
C1COC1CO
InChI
InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2
InChIKey
PQZJTHGEFIQMCO-UHFFFAOYSA-N
Compound name
oxetan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1157
Patents

88.05243 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 112.2
[M+Na]+ 111.04165 118.6
[M+NH4]+ 106.08625 117.0
[M+K]+ 127.01559 116.3
[M-H]- 87.045154 111.5
[M+Na-2H]- 109.02710 114.8
[M]+ 88.051881 111.5
[M]- 88.052979 111.5
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