CID 18366426

N,n,2-triethylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CCC1=CC=CC=C1N(CC)CC
InChI
InChI=1S/C12H19N/c1-4-11-9-7-8-10-12(11)13(5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKey
IXCKOXLJNNFOCM-UHFFFAOYSA-N
Compound name
N,N,2-triethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

578
Patents

177.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.3
[M+Na]+ 200.140968 147.7
[M-H]- 176.144474 146.2
[M+NH4]+ 195.185573 162.2
[M+K]+ 216.114908 146.5
[M+H-H2O]+ 160.149010 135.0
[M+HCOO]- 222.149951 166.4
[M+CH3COO]- 236.165601 190.0
[M+Na-2H]- 198.126416 146.8
[M]+ 177.15120142 143.2
[M]- 177.15229858 143.2
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