CID 21806134

3-(quinolin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C12H13NO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CCCO
InChI
InChI=1S/C12H13NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-2,4,6-8,14H,3,5,9H2
InChIKey
SZMLTFOLQWEQFJ-UHFFFAOYSA-N
Compound name
3-quinolin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

187.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.8
[M+Na]+ 210.08894 147.9
[M-H]- 186.09244 141.5
[M+NH4]+ 205.13354 158.7
[M+K]+ 226.06288 143.9
[M+H-H2O]+ 170.09698 133.0
[M+HCOO]- 232.09792 160.7
[M+CH3COO]- 246.11357 181.0
[M+Na-2H]- 208.07439 148.6
[M]+ 187.09917 140.0
[M]- 187.10027 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe