CID 3064924

106036-81-1

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]+ 264.13426 162.4
[M+Na]+ 286.11620 173.4
[M+NH4]+ 281.16080 169.5
[M+K]+ 302.09014 169.4
[M-H]- 262.11970 169.7
[M+Na-2H]- 284.10165 170.7
[M]+ 263.12643 167.0
[M]- 263.12753 167.0
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.