CID 80460697

1-(2-chloropyridin-4-yl)propan-1-ol

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CCC(C1=CC(=NC=C1)Cl)O
InChI
InChI=1S/C8H10ClNO/c1-2-7(11)6-3-4-10-8(9)5-6/h3-5,7,11H,2H2,1H3
InChIKey
WQBKJGXKYLHXJD-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

171.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 132.5
[M+Na]+ 194.03431 141.4
[M-H]- 170.03781 133.6
[M+NH4]+ 189.07891 152.0
[M+K]+ 210.00825 137.8
[M+H-H2O]+ 154.04235 127.4
[M+HCOO]- 216.04329 149.3
[M+CH3COO]- 230.05894 176.1
[M+Na-2H]- 192.01976 138.5
[M]+ 171.04454 133.8
[M]- 171.04564 133.8
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

patents stripe