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 151.8
[M+Na]+ 264.09548 157.5
[M+NH4]+ 259.14008 159.9
[M+K]+ 280.06942 158.2
[M-H]- 240.09898 152.5
[M+Na-2H]- 262.08093 152.9
[M]+ 241.10571 152.2
[M]- 241.10681 152.2
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.