CID 67363

148-69-6

Structural Information

Molecular Formula
C12H16N2
SMILES
CCN(CCC#N)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3
InChIKey
NPCCPMHHNIOSHL-UHFFFAOYSA-N
Compound name
3-(N-ethyl-3-methylanilino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

230
Patents

188.13135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 144.0
[M+Na]+ 211.120568 152.5
[M-H]- 187.124074 148.1
[M+NH4]+ 206.165173 162.1
[M+K]+ 227.094508 150.0
[M+H-H2O]+ 171.128610 131.0
[M+HCOO]- 233.129551 165.2
[M+CH3COO]- 247.145201 202.4
[M+Na-2H]- 209.106016 148.9
[M]+ 188.13080142 140.5
[M]- 188.13189858 140.5
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