CID 4415064

N-(2,4,6-trimethylphenyl)formamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

110
Patents

163.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 132.9
[M+Na]+ 186.088938 142.2
[M-H]- 162.092444 137.5
[M+NH4]+ 181.133543 154.3
[M+K]+ 202.062878 140.0
[M+H-H2O]+ 146.096980 127.6
[M+HCOO]- 208.097921 158.7
[M+CH3COO]- 222.113571 183.7
[M+Na-2H]- 184.074386 138.9
[M]+ 163.09917142 134.4
[M]- 163.10026858 134.4
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