CID 137698533

2095409-43-9

Structural Information

Molecular Formula
C10H17N3O4
SMILES
CC1(N=N1)CC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17N3O4/c1-9(2,3)17-8(16)11-6(7(14)15)5-10(4)12-13-10/h6H,5H2,1-4H3,(H,11,16)(H,14,15)
InChIKey
OMAJGFBHQOFABU-UHFFFAOYSA-N
Compound name
3-(3-methyldiazirin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1219 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.129176 159.9
[M+Na]+ 266.111118 168.1
[M-H]- 242.114624 160.9
[M+NH4]+ 261.155723 171.1
[M+K]+ 282.085058 166.6
[M+H-H2O]+ 226.119160 154.5
[M+HCOO]- 288.120101 177.9
[M+CH3COO]- 302.135751 194.5
[M+Na-2H]- 264.096566 164.5
[M]+ 243.12135142 165.8
[M]- 243.12244858 165.8
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.