CID 90878

1-adamantanecarbonitrile

Structural Information

Molecular Formula
C11H15N
SMILES
C1C2CC3CC1CC(C2)(C3)C#N
InChI
InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey
FQFZASRJFRAEIH-UHFFFAOYSA-N
Compound name
adamantane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

371
Patents

161.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 138.8
[M+Na]+ 184.10967 146.8
[M-H]- 160.11317 136.4
[M+NH4]+ 179.15427 164.4
[M+K]+ 200.08361 136.6
[M+H-H2O]+ 144.11771 128.5
[M+HCOO]- 206.11865 145.6
[M+CH3COO]- 220.13430 148.3
[M+Na-2H]- 182.09512 150.1
[M]+ 161.11990 133.8
[M]- 161.12100 133.8
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