CID 57989271

3-(aminomethyl)-1-methylazetidin-3-ol

Structural Information

Molecular Formula
C5H12N2O
SMILES
CN1CC(C1)(CN)O
InChI
InChI=1S/C5H12N2O/c1-7-3-5(8,2-6)4-7/h8H,2-4,6H2,1H3
InChIKey
DZIQWOFKGBGWOD-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

116.09496 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 125.9
[M+Na]+ 139.08418 132.2
[M-H]- 115.08768 126.7
[M+NH4]+ 134.12878 141.6
[M+K]+ 155.05812 134.3
[M+H-H2O]+ 99.092220 116.3
[M+HCOO]- 161.09316 146.0
[M+CH3COO]- 175.10881 172.6
[M+Na-2H]- 137.06963 131.9
[M]+ 116.09441 131.4
[M]- 116.09551 131.4
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