CID 8749

N,n-dimethyl-4-nitrosoaniline

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN(C)C1=CC=C(C=C1)N=O
InChI
InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
InChIKey
CMEWLCATCRTSGF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

154
References

13684
Patents

150.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 128.4
[M+Na]+ 173.068538 136.3
[M-H]- 149.072044 135.3
[M+NH4]+ 168.113143 150.5
[M+K]+ 189.042478 136.8
[M+H-H2O]+ 133.076580 121.9
[M+HCOO]- 195.077521 157.8
[M+CH3COO]- 209.093171 186.4
[M+Na-2H]- 171.053986 136.8
[M]+ 150.07877142 130.7
[M]- 150.07986858 130.7
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