CID 14074

1-aziridineethanol

Structural Information

Molecular Formula
C4H9NO
SMILES
C1CN1CCO
InChI
InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2
InChIKey
VYONOYYDEFODAJ-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

3177
Patents

87.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 119.2
[M+Na]+ 110.057628 128.8
[M-H]- 86.061134 121.4
[M+NH4]+ 105.102233 136.2
[M+K]+ 126.031568 127.2
[M+H-H2O]+ 70.065670 113.2
[M+HCOO]- 132.066611 141.5
[M+CH3COO]- 146.082261 165.6
[M+Na-2H]- 108.043076 127.1
[M]+ 87.06786142 120.9
[M]- 87.06895858 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe