CID 9576067

Union carbide uc-22878

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC\1(C2CCC(C2)/C1=N/OC(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O4/c1-10(13(15)16)7-4-3-6(5-7)8(10)12-17-9(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)/b12-8-
InChIKey
ZIAJZEAOGKWGJQ-WQLSENKSSA-N
Compound name
[(Z)-(3-methyl-3-nitro-2-bicyclo[2.2.1]heptanylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 150.1
[M+Na]+ 264.09548 155.4
[M-H]- 240.09898 154.2
[M+NH4]+ 259.14008 173.6
[M+K]+ 280.06942 151.0
[M+H-H2O]+ 224.10352 150.4
[M+HCOO]- 286.10446 175.1
[M+CH3COO]- 300.12011 190.7
[M+Na-2H]- 262.08093 156.8
[M]+ 241.10571 148.7
[M]- 241.10681 148.7
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.