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]+ 223.14411 148.2
[M+Na]+ 245.12605 157.2
[M-H]- 221.12955 154.4
[M+NH4]+ 240.17065 167.5
[M+K]+ 261.09999 152.3
[M+H-H2O]+ 205.13409 147.1
[M+HCOO]- 267.13503 174.4
[M+CH3COO]- 281.15068 195.8
[M+Na-2H]- 243.11150 152.0
[M]+ 222.13628 150.6
[M]- 222.13738 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.