CID 37575

36895-01-9

Structural Information

Molecular Formula
C7H14NO2
SMILES
CC(=O)OCC[N+]1(CC1)C
InChI
InChI=1S/C7H14NO2/c1-7(9)10-6-5-8(2)3-4-8/h3-6H2,1-2H3/q+1
InChIKey
WJLADXFPIBROFS-UHFFFAOYSA-N
Compound name
2-(1-methylaziridin-1-ium-1-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.10245 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.109726 126.7
[M+Na]+ 167.091668 136.2
[M-H]- 143.095174 130.5
[M+NH4]+ 162.136273 144.1
[M+K]+ 183.065608 130.6
[M+H-H2O]+ 127.099710 124.3
[M+HCOO]- 189.100651 148.5
[M+CH3COO]- 203.116301 171.2
[M+Na-2H]- 165.077116 136.2
[M]+ 144.10190142 129.8
[M]- 144.10299858 129.8
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

No patent data available for this compound.