CID 17758

4-(dimethylamino)-2-methyl-2-phenylbutanenitrile

Structural Information

Molecular Formula
C13H18N2
SMILES
CC(CCN(C)C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C13H18N2/c1-13(11-14,9-10-15(2)3)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey
HQHDICLYVMSIDG-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-methyl-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 151.7
[M+Na]+ 225.136218 159.3
[M-H]- 201.139724 155.6
[M+NH4]+ 220.180823 169.1
[M+K]+ 241.110158 157.0
[M+H-H2O]+ 185.144260 138.7
[M+HCOO]- 247.145201 171.1
[M+CH3COO]- 261.160851 204.4
[M+Na-2H]- 223.121666 157.0
[M]+ 202.14645142 147.7
[M]- 202.14754858 147.7
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.