CID 26891

Brn 2118635

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C
InChI
InChI=1S/C16H24N2/c1-13(2)16(12-17,10-11-18(4)5)15-8-6-14(3)7-9-15/h6-9,13H,10-11H2,1-5H3
InChIKey
HKGFNXNIGNHEGP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 163.9
[M+Na]+ 267.183168 171.0
[M-H]- 243.186674 167.8
[M+NH4]+ 262.227773 180.1
[M+K]+ 283.157108 168.6
[M+H-H2O]+ 227.191210 150.9
[M+HCOO]- 289.192151 181.6
[M+CH3COO]- 303.207801 214.3
[M+Na-2H]- 265.168616 166.1
[M]+ 244.19340142 160.7
[M]- 244.19449858 160.7
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

No patent data available for this compound.