CID 10016311

D-717

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.8
[M+Na]+ 299.17300 176.0
[M+NH4]+ 294.21760 169.7
[M+K]+ 315.14694 167.7
[M-H]- 275.17650 160.4
[M+Na-2H]- 297.15845 168.3
[M]+ 276.18323 165.3
[M]- 276.18433 165.3
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.