CID 66748

94-34-8

Structural Information

Molecular Formula
C10H12N2
SMILES
CN(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C10H12N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3
InChIKey
IXXLKTZOCSRXEM-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

824
Patents

160.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 136.3
[M+Na]+ 183.089268 144.8
[M-H]- 159.092774 140.4
[M+NH4]+ 178.133873 155.2
[M+K]+ 199.063208 142.6
[M+H-H2O]+ 143.097310 123.4
[M+HCOO]- 205.098251 158.2
[M+CH3COO]- 219.113901 196.0
[M+Na-2H]- 181.074716 142.9
[M]+ 160.09950142 131.9
[M]- 160.10059858 131.9
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