CID 17758

2809-43-0

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]+ 203.15428 151.7
[M+Na]+ 225.13622 159.3
[M-H]- 201.13972 155.6
[M+NH4]+ 220.18082 169.1
[M+K]+ 241.11016 157.0
[M+H-H2O]+ 185.14426 138.7
[M+HCOO]- 247.14520 171.1
[M+CH3COO]- 261.16085 204.4
[M+Na-2H]- 223.12167 157.0
[M]+ 202.14645 147.7
[M]- 202.14755 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.