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 163.7
[M+Na]+ 286.11620 171.5
[M-H]- 262.11970 167.3
[M+NH4]+ 281.16080 173.8
[M+K]+ 302.09014 168.4
[M+H-H2O]+ 246.12424 156.7
[M+HCOO]- 308.12518 182.4
[M+CH3COO]- 322.14083 198.7
[M+Na-2H]- 284.10165 166.9
[M]+ 263.12643 166.4
[M]- 263.12753 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.