CID 132341990

2137615-53-1

Structural Information

Molecular Formula
C10H20N4O2
SMILES
CC(C)(C)OC(=O)NCCC1(N=N1)CCN
InChI
InChI=1S/C10H20N4O2/c1-9(2,3)16-8(15)12-7-5-10(4-6-11)13-14-10/h4-7,11H2,1-3H3,(H,12,15)
InChIKey
SEDVPYDASJIRQZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[3-(2-aminoethyl)diazirin-3-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.15863 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16591 159.0
[M+Na]+ 251.14785 167.2
[M-H]- 227.15135 160.6
[M+NH4]+ 246.19245 171.3
[M+K]+ 267.12179 164.9
[M+H-H2O]+ 211.15589 152.7
[M+HCOO]- 273.15683 180.2
[M+CH3COO]- 287.17248 196.3
[M+Na-2H]- 249.13330 165.5
[M]+ 228.15808 164.0
[M]- 228.15918 164.0
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.