CID 2774184

137379-64-7

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)NCC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
InChIKey
NZXPKDJRJFKEIC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

192.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 146.4
[M+Na]+ 215.151858 151.6
[M-H]- 191.155364 151.2
[M+NH4]+ 210.196463 166.2
[M+K]+ 231.125798 150.8
[M+H-H2O]+ 175.159900 139.5
[M+HCOO]- 237.160841 171.4
[M+CH3COO]- 251.176491 195.7
[M+Na-2H]- 213.137306 150.7
[M]+ 192.16209142 146.8
[M]- 192.16318858 146.8
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