CID 123706

4-(1-aminopropyl)-n,n,3-trimethylaniline

Structural Information

Molecular Formula
C12H20N2
SMILES
CCC(C1=C(C=C(C=C1)N(C)C)C)N
InChI
InChI=1S/C12H20N2/c1-5-12(13)11-7-6-10(14(3)4)8-9(11)2/h6-8,12H,5,13H2,1-4H3
InChIKey
RRHXDYJWVYFMKV-UHFFFAOYSA-N
Compound name
4-(1-aminopropyl)-N,N,3-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

12
Patents

192.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.5
[M+Na]+ 215.15186 152.7
[M-H]- 191.15536 151.2
[M+NH4]+ 210.19646 166.4
[M+K]+ 231.12580 151.6
[M+H-H2O]+ 175.15990 140.0
[M+HCOO]- 237.16084 171.0
[M+CH3COO]- 251.17649 196.2
[M+Na-2H]- 213.13731 149.1
[M]+ 192.16209 146.4
[M]- 192.16319 146.4
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