CID 12780309

N-methyl-2,6-bis(propan-2-yl)aniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

191.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 146.1
[M+Na]+ 214.156618 152.4
[M-H]- 190.160124 149.9
[M+NH4]+ 209.201223 166.0
[M+K]+ 230.130558 150.5
[M+H-H2O]+ 174.164660 140.2
[M+HCOO]- 236.165601 168.4
[M+CH3COO]- 250.181251 192.3
[M+Na-2H]- 212.142066 148.6
[M]+ 191.16685142 146.3
[M]- 191.16794858 146.3
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