CID 363990

Nsc629608

Structural Information

Molecular Formula
C18H22N2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4
InChI
InChI=1S/C18H22N2/c19-12-17(16-4-2-1-3-5-16)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,17,20H,6-11H2
InChIKey
LVUHFRRTSCANOO-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.6
[M+Na]+ 289.16750 171.1
[M-H]- 265.17100 164.0
[M+NH4]+ 284.21210 186.2
[M+K]+ 305.14144 158.7
[M+H-H2O]+ 249.17554 152.8
[M+HCOO]- 311.17648 171.1
[M+CH3COO]- 325.19213 172.2
[M+Na-2H]- 287.15295 174.6
[M]+ 266.17773 158.9
[M]- 266.17883 158.9
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.