CID 22091871

3-(methylamino)-3-phenylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 137.7
[M+Na]+ 183.089268 145.8
[M-H]- 159.092774 140.6
[M+NH4]+ 178.133873 155.9
[M+K]+ 199.063208 142.9
[M+H-H2O]+ 143.097310 125.1
[M+HCOO]- 205.098251 158.2
[M+CH3COO]- 219.113901 193.6
[M+Na-2H]- 181.074716 143.7
[M]+ 160.09950142 131.6
[M]- 160.10059858 131.6
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