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]+ 244.12918 159.9
[M+Na]+ 266.11112 168.1
[M-H]- 242.11462 160.9
[M+NH4]+ 261.15572 171.1
[M+K]+ 282.08506 166.6
[M+H-H2O]+ 226.11916 154.5
[M+HCOO]- 288.12010 177.9
[M+CH3COO]- 302.13575 194.5
[M+Na-2H]- 264.09657 164.5
[M]+ 243.12135 165.8
[M]- 243.12245 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.