CID 161569

27487-66-7

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)C(CCCN)(C#N)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C16H24N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,17H2,1-4H3
InChIKey
UCWOSFAANAZHKR-UHFFFAOYSA-N
Compound name
5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

24
Patents

276.18378 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 169.6
[M+Na]+ 299.17300 177.0
[M-H]- 275.17650 172.0
[M+NH4]+ 294.21760 183.9
[M+K]+ 315.14694 174.5
[M+H-H2O]+ 259.18104 156.6
[M+HCOO]- 321.18198 186.7
[M+CH3COO]- 335.19763 215.2
[M+Na-2H]- 297.15845 171.0
[M]+ 276.18323 167.2
[M]- 276.18433 167.2
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.