CID 22159355

2-(6-chloropyridin-3-yl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC(C)(CO)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H12ClNO/c1-9(2,6-12)7-3-4-8(10)11-5-7/h3-5,12H,6H2,1-2H3
InChIKey
DVNUXKZFBPFRJU-UHFFFAOYSA-N
Compound name
2-(6-chloropyridin-3-yl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

185.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.9
[M+Na]+ 208.04997 147.0
[M-H]- 184.05347 139.0
[M+NH4]+ 203.09457 157.0
[M+K]+ 224.02391 143.1
[M+H-H2O]+ 168.05801 133.0
[M+HCOO]- 230.05895 153.7
[M+CH3COO]- 244.07460 178.6
[M+Na-2H]- 206.03542 145.1
[M]+ 185.06020 139.6
[M]- 185.06130 139.6
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