CID 3064924

3-diaziridinecarboxylic acid, 1-methyl-3-(((1-phenylethyl)amino)carbonyl)-, methyl ester

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CC(C1=CC=CC=C1)NC(=O)C2(NN2C)C(=O)OC
InChI
InChI=1S/C13H17N3O3/c1-9(10-7-5-4-6-8-10)14-11(17)13(12(18)19-3)15-16(13)2/h4-9,15H,1-3H3,(H,14,17)
InChIKey
LPUYPPYJBSHXGW-UHFFFAOYSA-N
Compound name
methyl 1-methyl-3-(1-phenylethylcarbamoyl)diaziridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.134256 163.7
[M+Na]+ 286.116198 171.5
[M-H]- 262.119704 167.3
[M+NH4]+ 281.160803 173.8
[M+K]+ 302.090138 168.4
[M+H-H2O]+ 246.124240 156.7
[M+HCOO]- 308.125181 182.4
[M+CH3COO]- 322.140831 198.7
[M+Na-2H]- 284.101646 166.9
[M]+ 263.12643142 166.4
[M]- 263.12752858 166.4
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.