CID 357881

4-chloro-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H10ClN
SMILES
CC(C)(CCCl)C#N
InChI
InChI=1S/C6H10ClN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChIKey
JEFSZASOUUCOKS-UHFFFAOYSA-N
Compound name
4-chloro-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

131.05017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05745 126.7
[M+Na]+ 154.03939 137.1
[M-H]- 130.04289 128.0
[M+NH4]+ 149.08399 147.8
[M+K]+ 170.01333 134.8
[M+H-H2O]+ 114.04743 117.4
[M+HCOO]- 176.04837 141.8
[M+CH3COO]- 190.06402 185.9
[M+Na-2H]- 152.02484 133.8
[M]+ 131.04962 124.2
[M]- 131.05072 124.2
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

patents stripe