CID 41686

Glycine, n-nitro-n-(2,2,2-trinitroethyl)-, methyl ester

Structural Information

Molecular Formula
C5H7N5O10
SMILES
COC(=O)CN(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C5H7N5O10/c1-20-4(11)2-6(10(18)19)3-5(7(12)13,8(14)15)9(16)17/h2-3H2,1H3
InChIKey
QKURMCUXUZLJBT-UHFFFAOYSA-N
Compound name
methyl 2-[nitro(2,2,2-trinitroethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0193 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02658 164.3
[M+Na]+ 320.00852 169.2
[M+NH4]+ 315.05312 173.2
[M+K]+ 335.98246 180.1
[M-H]- 296.01202 162.1
[M+Na-2H]- 317.99397 163.0
[M]+ 297.01875 166.9
[M]- 297.01985 166.9
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.