CID 60991

N-methyl-n,4-dinitrosoaniline

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CN(C1=CC=C(C=C1)N=O)N=O
InChI
InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3
InChIKey
FMGUJLASXUBMOP-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-nitrosophenyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

941
Patents

165.05383 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 129.0
[M+Na]+ 188.043048 137.0
[M-H]- 164.046554 137.4
[M+NH4]+ 183.087653 150.6
[M+K]+ 204.016988 138.5
[M+H-H2O]+ 148.051090 121.6
[M+HCOO]- 210.052031 161.6
[M+CH3COO]- 224.067681 192.2
[M+Na-2H]- 186.028496 138.7
[M]+ 165.05328142 132.7
[M]- 165.05437858 132.7
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

patents stripe