CID 23343732

3-methyl-4-(methylamino)benzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=C(C=CC(=C1)C#N)NC
InChI
InChI=1S/C9H10N2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,11H,1-2H3
InChIKey
YNELGXFGZBODLW-UHFFFAOYSA-N
Compound name
3-methyl-4-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

146.0844 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 131.6
[M+Na]+ 169.073618 141.9
[M-H]- 145.077124 135.3
[M+NH4]+ 164.118223 151.0
[M+K]+ 185.047558 139.1
[M+H-H2O]+ 129.081660 119.7
[M+HCOO]- 191.082601 153.3
[M+CH3COO]- 205.098251 192.1
[M+Na-2H]- 167.059066 138.1
[M]+ 146.08385142 126.4
[M]- 146.08494858 126.4
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

patents stripe