CID 14053654

1245644-98-7

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC(C1=CC(=NC=C1)Cl)O
InChI
InChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-5,10H,1H3
InChIKey
JVKWVFDRUADQGB-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 127.8
[M+Na]+ 180.018648 137.1
[M-H]- 156.022154 129.0
[M+NH4]+ 175.063253 147.9
[M+K]+ 195.992588 133.7
[M+H-H2O]+ 140.026690 122.9
[M+HCOO]- 202.027631 144.9
[M+CH3COO]- 216.043281 173.1
[M+Na-2H]- 178.004096 134.4
[M]+ 157.02888142 128.7
[M]- 157.02997858 128.7
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