CID 53346589

(3-aminooxetan-3-yl)methanol

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(CO1)(CO)N
InChI
InChI=1S/C4H9NO2/c5-4(1-6)2-7-3-4/h6H,1-3,5H2
InChIKey
HBGXGFLFLLDTML-UHFFFAOYSA-N
Compound name
(3-aminooxetan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

103.06333 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.3
[M+Na]+ 126.05255 124.3
[M+NH4]+ 121.09715 124.8
[M+K]+ 142.02649 120.8
[M-H]- 102.05605 118.6
[M+Na-2H]- 124.03800 122.4
[M]+ 103.06278 118.5
[M]- 103.06388 118.5
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