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]+ 242.113536 150.1
[M+Na]+ 264.095478 155.4
[M-H]- 240.098984 154.2
[M+NH4]+ 259.140083 173.6
[M+K]+ 280.069418 151.0
[M+H-H2O]+ 224.103520 150.4
[M+HCOO]- 286.104461 175.1
[M+CH3COO]- 300.120111 190.7
[M+Na-2H]- 262.080926 156.8
[M]+ 241.10571142 148.7
[M]- 241.10680858 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.