CID 5743430

3-(2-methylaziridin-1-yl)propane-1,2-diol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1CN1CC(CO)O
InChI
InChI=1S/C6H13NO2/c1-5-2-7(5)3-6(9)4-8/h5-6,8-9H,2-4H2,1H3
InChIKey
BRKPFEVAJBEGAZ-UHFFFAOYSA-N
Compound name
3-(2-methylaziridin-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.6
[M+Na]+ 154.083858 138.8
[M-H]- 130.087364 130.6
[M+NH4]+ 149.128463 144.5
[M+K]+ 170.057798 136.1
[M+H-H2O]+ 114.091900 123.8
[M+HCOO]- 176.092841 149.2
[M+CH3COO]- 190.108491 172.7
[M+Na-2H]- 152.069306 134.3
[M]+ 131.09409142 131.5
[M]- 131.09518858 131.5
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