CID 84179

4,n,n-trimethylbenzamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC=C(C=C1)C(=O)N(C)C
InChI
InChI=1S/C10H13NO/c1-8-4-6-9(7-5-8)10(12)11(2)3/h4-7H,1-3H3
InChIKey
ULKWBVNMJZUEBD-UHFFFAOYSA-N
Compound name
N,N,4-trimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1259
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.2
[M+Na]+ 186.08894 141.6
[M-H]- 162.09244 139.6
[M+NH4]+ 181.13354 155.6
[M+K]+ 202.06288 141.2
[M+H-H2O]+ 146.09698 128.2
[M+HCOO]- 208.09792 159.5
[M+CH3COO]- 222.11357 185.1
[M+Na-2H]- 184.07439 139.6
[M]+ 163.09917 135.4
[M]- 163.10027 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.