CID 75946

N,n-diethyl-p-toluamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey
PUZORFQMRDHKBT-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

40
References

5287
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.7
[M+Na]+ 214.12023 150.2
[M-H]- 190.12373 148.8
[M+NH4]+ 209.16483 164.0
[M+K]+ 230.09417 149.4
[M+H-H2O]+ 174.12827 137.4
[M+HCOO]- 236.12921 168.3
[M+CH3COO]- 250.14486 191.2
[M+Na-2H]- 212.10568 148.0
[M]+ 191.13046 145.7
[M]- 191.13156 145.7
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