CID 202433

Valeronitrile, 5-(dimethylamino)-2-phenyl-

Structural Information

Molecular Formula
C13H18N2
SMILES
CN(C)CCCC(C#N)C1=CC=CC=C1
InChI
InChI=1S/C13H18N2/c1-15(2)10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3
InChIKey
NXHIHKLMPBXJOK-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-phenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 149.9
[M+Na]+ 225.136218 156.9
[M-H]- 201.139724 153.6
[M+NH4]+ 220.180823 167.2
[M+K]+ 241.110158 154.5
[M+H-H2O]+ 185.144260 136.5
[M+HCOO]- 247.145201 169.9
[M+CH3COO]- 261.160851 204.9
[M+Na-2H]- 223.121666 153.8
[M]+ 202.14645142 145.8
[M]- 202.14754858 145.8
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