CID 55288479

3-(hydroxymethyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(CN1)(CO)O
InChI
InChI=1S/C4H9NO2/c6-3-4(7)1-5-2-4/h5-7H,1-3H2
InChIKey
SVGVQQICUXXQHI-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

103.06333 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 121.1
[M+Na]+ 126.052548 127.0
[M-H]- 102.056054 119.6
[M+NH4]+ 121.097153 136.2
[M+K]+ 142.026488 128.4
[M+H-H2O]+ 86.060590 112.3
[M+HCOO]- 148.061531 138.5
[M+CH3COO]- 162.077181 161.5
[M+Na-2H]- 124.037996 128.3
[M]+ 103.06278142 125.5
[M]- 103.06387858 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe