CID 67050751

(3-aminoazetidin-3-yl)methanoldihydrochloride

Structural Information

Molecular Formula
C4H10N2O
SMILES
C1C(CN1)(CO)N
InChI
InChI=1S/C4H10N2O/c5-4(3-7)1-6-2-4/h6-7H,1-3,5H2
InChIKey
LPNBQFJEVNTYOC-UHFFFAOYSA-N
Compound name
(3-aminoazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

102.079315 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.08659 122.9
[M+Na]+ 125.06853 128.3
[M-H]- 101.07204 122.1
[M+NH4]+ 120.11314 138.1
[M+K]+ 141.04247 129.8
[M+H-H2O]+ 85.076575 113.3
[M+HCOO]- 147.07752 141.8
[M+CH3COO]- 161.09317 166.1
[M+Na-2H]- 123.05398 129.6
[M]+ 102.07877 125.9
[M]- 102.07986 125.9
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