CID 4526103

N,n,2,3,5,6-hexamethyl-4-nitroaniline

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1=C(C(=C(C(=C1N(C)C)C)C)[N+](=O)[O-])C
InChI
InChI=1S/C12H18N2O2/c1-7-9(3)12(14(15)16)10(4)8(2)11(7)13(5)6/h1-6H3
InChIKey
WOEGUVOHYSUEME-UHFFFAOYSA-N
Compound name
N,N,2,3,5,6-hexamethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 148.2
[M+Na]+ 245.126048 157.2
[M-H]- 221.129554 154.4
[M+NH4]+ 240.170653 167.5
[M+K]+ 261.099988 152.3
[M+H-H2O]+ 205.134090 147.1
[M+HCOO]- 267.135031 174.4
[M+CH3COO]- 281.150681 195.8
[M+Na-2H]- 243.111496 152.0
[M]+ 222.13628142 150.6
[M]- 222.13737858 150.6
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

No patent data available for this compound.