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]+ 261.19615 166.5
[M+Na]+ 283.17809 173.4
[M-H]- 259.18159 170.3
[M+NH4]+ 278.22269 182.0
[M+K]+ 299.15203 171.6
[M+H-H2O]+ 243.18613 153.2
[M+HCOO]- 305.18707 184.4
[M+CH3COO]- 319.20272 216.0
[M+Na-2H]- 281.16354 168.7
[M]+ 260.18832 164.5
[M]- 260.18942 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.