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
2
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 152.0
[M+Na]+ 273.08457 160.3
[M-H]- 249.08807 160.4
[M+NH4]+ 268.12917 173.6
[M+K]+ 289.05851 162.0
[M+H-H2O]+ 233.09261 146.3
[M+HCOO]- 295.09355 178.1
[M+CH3COO]- 309.10920 202.0
[M+Na-2H]- 271.07002 158.8
[M]+ 250.09480 158.1
[M]- 250.09590 158.1
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.