CID 543739

1-methyl-3,3-diaziridinedicarboxylic acid dimethyl ester

Structural Information

Molecular Formula
C6H10N2O4
SMILES
CN1C(N1)(C(=O)OC)C(=O)OC
InChI
InChI=1S/C6H10N2O4/c1-8-6(7-8,4(9)11-2)5(10)12-3/h7H,1-3H3
InChIKey
OFMRSMZKZLPANF-UHFFFAOYSA-N
Compound name
dimethyl 1-methyldiaziridine-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.06406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 142.5
[M+Na]+ 197.05328 153.1
[M-H]- 173.05678 143.8
[M+NH4]+ 192.09788 156.8
[M+K]+ 213.02722 151.7
[M+H-H2O]+ 157.06132 137.1
[M+HCOO]- 219.06226 161.6
[M+CH3COO]- 233.07791 179.3
[M+Na-2H]- 195.03873 147.1
[M]+ 174.06351 147.9
[M]- 174.06461 147.9
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