CID 3285632

3-chloroadamantane-1-carbonitrile

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)C#N
InChI
InChI=1S/C11H14ClN/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9H,1-6H2
InChIKey
WEGYYUWQZAELJZ-UHFFFAOYSA-N
Compound name
3-chloroadamantane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.08148 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 147.7
[M+Na]+ 218.07070 158.0
[M-H]- 194.07420 145.6
[M+NH4]+ 213.11530 174.6
[M+K]+ 234.04464 145.4
[M+H-H2O]+ 178.07874 138.1
[M+HCOO]- 240.07968 150.7
[M+CH3COO]- 254.09533 157.2
[M+Na-2H]- 216.05615 159.0
[M]+ 195.08093 144.8
[M]- 195.08203 144.8
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