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

319
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 117.4
[M+Na]+ 126.05255 123.0
[M-H]- 102.05605 120.1
[M+NH4]+ 121.09715 133.3
[M+K]+ 142.02649 126.9
[M+H-H2O]+ 86.060590 108.5
[M+HCOO]- 148.06153 138.5
[M+CH3COO]- 162.07718 167.9
[M+Na-2H]- 124.03800 126.0
[M]+ 103.06278 123.8
[M]- 103.06388 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