CID 81806

N,n-diisopropyl-p-toluidine

Structural Information

Molecular Formula
C13H21N
SMILES
CC1=CC=C(C=C1)N(C(C)C)C(C)C
InChI
InChI=1S/C13H21N/c1-10(2)14(11(3)4)13-8-6-12(5)7-9-13/h6-11H,1-5H3
InChIKey
YHAUWIDCXVQMPN-UHFFFAOYSA-N
Compound name
4-methyl-N,N-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

191.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 146.3
[M+Na]+ 214.156618 151.7
[M-H]- 190.160124 151.1
[M+NH4]+ 209.201223 166.5
[M+K]+ 230.130558 151.2
[M+H-H2O]+ 174.164660 139.9
[M+HCOO]- 236.165601 169.0
[M+CH3COO]- 250.181251 194.7
[M+Na-2H]- 212.142066 148.7
[M]+ 191.16685142 147.3
[M]- 191.16794858 147.3
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