CID 13227

827-36-1

Structural Information

Molecular Formula
C10H12N2
SMILES
CN(C)C(C#N)C1=CC=CC=C1
InChI
InChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey
PAGHXXKYFBGJEH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

62
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 137.8
[M+Na]+ 183.089268 146.0
[M-H]- 159.092774 142.0
[M+NH4]+ 178.133873 156.6
[M+K]+ 199.063208 144.3
[M+H-H2O]+ 143.097310 124.9
[M+HCOO]- 205.098251 158.7
[M+CH3COO]- 219.113901 196.8
[M+Na-2H]- 181.074716 143.1
[M]+ 160.09950142 132.7
[M]- 160.10059858 132.7
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