CID 373290

Nsc649441

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC1CN1C(=O)CCC(=O)OC
InChI
InChI=1S/C8H13NO3/c1-6-5-9(6)7(10)3-4-8(11)12-2/h6H,3-5H2,1-2H3
InChIKey
WXDSVKZIHNLBES-UHFFFAOYSA-N
Compound name
methyl 4-(2-methylaziridin-1-yl)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 140.7
[M+Na]+ 194.07876 150.3
[M-H]- 170.08226 144.2
[M+NH4]+ 189.12336 155.3
[M+K]+ 210.05270 148.5
[M+H-H2O]+ 154.08680 134.3
[M+HCOO]- 216.08774 162.1
[M+CH3COO]- 230.10339 183.2
[M+Na-2H]- 192.06421 144.0
[M]+ 171.08899 146.3
[M]- 171.09009 146.3
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.