CID 13540127

3,5-dimethyladamantane-1-carbonitrile

Structural Information

Molecular Formula
C13H19N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)C#N)C
InChI
InChI=1S/C13H19N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-8H2,1-2H3
InChIKey
OEXPKZUHIXLJBX-UHFFFAOYSA-N
Compound name
3,5-dimethyladamantane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

189.15175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 156.7
[M+Na]+ 212.14097 166.1
[M+NH4]+ 207.18557 168.5
[M+K]+ 228.11491 150.0
[M-H]- 188.14447 148.9
[M+Na-2H]- 210.12642 154.9
[M]+ 189.15120 155.6
[M]- 189.15230 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe