CID 53346592

3-(aminomethyl)oxetan-3-ol

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(CO1)(CN)O
InChI
InChI=1S/C4H9NO2/c5-1-4(6)2-7-3-4/h6H,1-3,5H2
InChIKey
VJXPRLZGWQAQEX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

440
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 117.4
[M+Na]+ 126.052548 123.0
[M-H]- 102.056054 120.1
[M+NH4]+ 121.097153 133.3
[M+K]+ 142.026488 126.9
[M+H-H2O]+ 86.060590 108.5
[M+HCOO]- 148.061531 138.4
[M+CH3COO]- 162.077181 167.9
[M+Na-2H]- 124.037996 126.0
[M]+ 103.06278142 123.8
[M]- 103.06387858 123.8
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