CID 140885

1-adamantyl isocyanide

Structural Information

Molecular Formula
C11H15N
SMILES
[C-]#[N+]C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C11H15N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2
InChIKey
RPRJRJNIFAYHRF-UHFFFAOYSA-N
Compound name
1-isocyanoadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

320
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 140.9
[M+Na]+ 184.10967 147.9
[M-H]- 160.11317 137.3
[M+NH4]+ 179.15427 165.3
[M+K]+ 200.08361 133.4
[M+H-H2O]+ 144.11771 134.8
[M+HCOO]- 206.11865 146.9
[M+CH3COO]- 220.13430 189.8
[M+Na-2H]- 182.09512 152.5
[M]+ 161.11990 132.9
[M]- 161.12100 132.9
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