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

8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.