CID 93103

N-ethyl-3-methylbenzamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CCNC(=O)C1=CC=CC(=C1)C
InChI
InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
FPINATACRXASTP-UHFFFAOYSA-N
Compound name
N-ethyl-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

200
Patents

163.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.8
[M+Na]+ 186.08894 141.9
[M-H]- 162.09244 138.6
[M+NH4]+ 181.13354 155.4
[M+K]+ 202.06288 140.2
[M+H-H2O]+ 146.09698 129.0
[M+HCOO]- 208.09792 159.5
[M+CH3COO]- 222.11357 181.6
[M+Na-2H]- 184.07439 140.8
[M]+ 163.09917 134.7
[M]- 163.10027 134.7
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