CID 75957

2739-04-0

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(C=C1)N(C)C=O
InChI
InChI=1S/C9H11NO/c1-8-3-5-9(6-4-8)10(2)7-11/h3-7H,1-2H3
InChIKey
MQMOWSBDSHOJAV-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methylphenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

149.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.1
[M+Na]+ 172.073278 137.0
[M-H]- 148.076784 134.5
[M+NH4]+ 167.117883 151.0
[M+K]+ 188.047218 136.5
[M+H-H2O]+ 132.081320 123.2
[M+HCOO]- 194.082261 155.7
[M+CH3COO]- 208.097911 181.9
[M+Na-2H]- 170.058726 136.3
[M]+ 149.08351142 130.7
[M]- 149.08460858 130.7
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