CID 26894

Brn 2135135

Structural Information

Molecular Formula
C19H30N2
SMILES
CC(C)CC1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C
InChI
InChI=1S/C19H30N2/c1-15(2)13-17-7-9-18(10-8-17)19(14-20,16(3)4)11-12-21(5)6/h7-10,15-16H,11-13H2,1-6H3
InChIKey
WPGGIGBOEDYAFG-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2409 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24818 176.6
[M+Na]+ 309.23012 182.2
[M-H]- 285.23362 180.0
[M+NH4]+ 304.27472 191.1
[M+K]+ 325.20406 179.6
[M+H-H2O]+ 269.23816 163.1
[M+HCOO]- 331.23910 192.5
[M+CH3COO]- 345.25475 223.1
[M+Na-2H]- 307.21557 176.2
[M]+ 286.24035 173.7
[M]- 286.24145 173.7
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.