CID 365173

Nsc632383

Structural Information

Molecular Formula
C18H20N2
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)C#N
InChI
InChI=1S/C18H20N2/c19-11-13-2-1-3-14(4-13)12-20-18-8-15-5-16(9-18)7-17(6-15)10-18/h1-4,12,15-17H,5-10H2
InChIKey
MESOCEVFWHRFRK-UHFFFAOYSA-N
Compound name
3-(1-adamantyliminomethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 163.8
[M+Na]+ 287.15188 170.9
[M-H]- 263.15538 163.8
[M+NH4]+ 282.19648 185.4
[M+K]+ 303.12582 158.3
[M+H-H2O]+ 247.15992 150.5
[M+HCOO]- 309.16086 171.7
[M+CH3COO]- 323.17651 171.5
[M+Na-2H]- 285.13733 173.5
[M]+ 264.16211 158.7
[M]- 264.16321 158.7
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.