CID 113051

N-ethyl-n-(2-methoxyethyl)-3-methyl-4-nitrosoaniline

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCN(CCOC)C1=CC(=C(C=C1)N=O)C
InChI
InChI=1S/C12H18N2O2/c1-4-14(7-8-16-3)11-5-6-12(13-15)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3
InChIKey
SYVTVOOPVKBARJ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

222.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 149.9
[M+Na]+ 245.126048 156.9
[M-H]- 221.129554 156.4
[M+NH4]+ 240.170653 169.4
[M+K]+ 261.099988 157.0
[M+H-H2O]+ 205.134090 142.5
[M+HCOO]- 267.135031 178.2
[M+CH3COO]- 281.150681 201.8
[M+Na-2H]- 243.111496 155.4
[M]+ 222.13628142 155.5
[M]- 222.13737858 155.5
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

patents stripe