CID 26909

Brn 2131923

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=C(C=C1)OC
InChI
InChI=1S/C16H24N2O/c1-13(2)16(12-17,10-11-18(3)4)14-6-8-15(19-5)9-7-14/h6-9,13H,10-11H2,1-5H3
InChIKey
KHMNBVSNVDQBAP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 166.5
[M+Na]+ 283.178088 173.4
[M-H]- 259.181594 170.3
[M+NH4]+ 278.222693 182.0
[M+K]+ 299.152028 171.6
[M+H-H2O]+ 243.186130 153.2
[M+HCOO]- 305.187071 184.4
[M+CH3COO]- 319.202721 216.0
[M+Na-2H]- 281.163536 168.7
[M]+ 260.18832142 164.5
[M]- 260.18941858 164.5
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.