CID 543739

3,3-diaziridinedicarboxylic acid, 1-methyl-, 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

2
Patents

174.06406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.071336 142.5
[M+Na]+ 197.053278 153.1
[M-H]- 173.056784 143.8
[M+NH4]+ 192.097883 156.8
[M+K]+ 213.027218 151.7
[M+H-H2O]+ 157.061320 137.1
[M+HCOO]- 219.062261 161.6
[M+CH3COO]- 233.077911 179.3
[M+Na-2H]- 195.038726 147.1
[M]+ 174.06351142 147.9
[M]- 174.06460858 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