CID 58087981

2580230-34-6

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC(C)(C)C1=NC=CC(=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-9(2,3)8-6-7(10)4-5-11-8/h4-6H,1-3H3
InChIKey
YGMONDDQCZRCOO-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

169.06583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.1
[M+Na]+ 192.055048 143.8
[M-H]- 168.058554 136.7
[M+NH4]+ 187.099653 154.7
[M+K]+ 208.028988 140.3
[M+H-H2O]+ 152.063090 129.1
[M+HCOO]- 214.064031 151.2
[M+CH3COO]- 228.079681 178.7
[M+Na-2H]- 190.040496 141.9
[M]+ 169.06528142 136.2
[M]- 169.06637858 136.2
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