CID 365174

Nsc632384

Structural Information

Molecular Formula
C18H20N2
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)C#N
InChI
InChI=1S/C18H20N2/c19-11-13-1-3-14(4-2-13)12-20-18-8-15-5-16(9-18)7-17(6-15)10-18/h1-4,12,15-17H,5-10H2
InChIKey
WDYDSKBVZWCQLT-UHFFFAOYSA-N
Compound name
4-(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]+ 265.169936 163.8
[M+Na]+ 287.151878 170.9
[M-H]- 263.155384 163.8
[M+NH4]+ 282.196483 185.4
[M+K]+ 303.125818 158.3
[M+H-H2O]+ 247.159920 150.5
[M+HCOO]- 309.160861 171.7
[M+CH3COO]- 323.176511 171.5
[M+Na-2H]- 285.137326 173.5
[M]+ 264.16211142 158.7
[M]- 264.16320858 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.