CID 513396

Cyclopropyl(quinolin-2-yl)methanol

Structural Information

Molecular Formula
C13H13NO
SMILES
C1CC1C(C2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C13H13NO/c15-13(10-5-6-10)12-8-7-9-3-1-2-4-11(9)14-12/h1-4,7-8,10,13,15H,5-6H2
InChIKey
MDDZNPYQNIKQAW-UHFFFAOYSA-N
Compound name
cyclopropyl(quinolin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

199.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 143.6
[M+Na]+ 222.088938 152.9
[M-H]- 198.092444 149.1
[M+NH4]+ 217.133543 157.0
[M+K]+ 238.062878 148.3
[M+H-H2O]+ 182.096980 136.2
[M+HCOO]- 244.097921 163.8
[M+CH3COO]- 258.113571 155.7
[M+Na-2H]- 220.074386 150.8
[M]+ 199.09917142 144.5
[M]- 199.10026858 144.5
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

No patent data available for this compound.