CID 44098

N-nitrosocarbofuran

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)N=O)C
InChI
InChI=1S/C12H14N2O4/c1-12(2)7-8-5-4-6-9(10(8)18-12)17-11(15)14(3)13-16/h4-6H,7H2,1-3H3
InChIKey
MLORMOQFXPJRKA-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

250.09535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 153.8
[M+Na]+ 273.08457 163.3
[M+NH4]+ 268.12917 162.3
[M+K]+ 289.05851 159.3
[M-H]- 249.08807 157.0
[M+Na-2H]- 271.07002 159.0
[M]+ 250.09480 155.9
[M]- 250.09590 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.