CID 363993

Nsc629611

Structural Information

Molecular Formula
C19H24N2O
SMILES
COC1=CC=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H24N2O/c1-22-17-4-2-16(3-5-17)18(12-20)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,18,21H,6-11H2,1H3
InChIKey
AJXZTNMCDRQZJT-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 172.8
[M+Na]+ 319.17809 178.3
[M-H]- 295.18159 171.2
[M+NH4]+ 314.22269 192.5
[M+K]+ 335.15203 166.7
[M+H-H2O]+ 279.18613 160.0
[M+HCOO]- 341.18707 178.0
[M+CH3COO]- 355.20272 179.1
[M+Na-2H]- 317.16354 180.9
[M]+ 296.18832 167.9
[M]- 296.18942 167.9
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.