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 195.0
[M+Na]+ 320.00852 200.7
[M-H]- 296.01202 205.3
[M+NH4]+ 315.05312 207.1
[M+K]+ 335.98246 199.9
[M+H-H2O]+ 280.01656 169.6
[M+HCOO]- 342.01750 203.7
[M+CH3COO]- 356.03315 187.0
[M+Na-2H]- 317.99397 192.9
[M]+ 297.01875 183.5
[M]- 297.01985 183.5
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.