CID 12254815

Adamantane-2-carbonitrile

Structural Information

Molecular Formula
C11H15N
SMILES
C1C2CC3CC1CC(C2)C3C#N
InChI
InChI=1S/C11H15N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-5H2
InChIKey
KHCMWKSXPURXRL-UHFFFAOYSA-N
Compound name
adamantane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

161.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 136.9
[M+Na]+ 184.109668 144.3
[M-H]- 160.113174 134.4
[M+NH4]+ 179.154273 160.9
[M+K]+ 200.083608 135.1
[M+H-H2O]+ 144.117710 127.1
[M+HCOO]- 206.118651 143.7
[M+CH3COO]- 220.134301 146.3
[M+Na-2H]- 182.095116 147.1
[M]+ 161.11990142 131.9
[M]- 161.12099858 131.9
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