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]+ 200.10700 143.6
[M+Na]+ 222.08894 152.9
[M-H]- 198.09244 149.1
[M+NH4]+ 217.13354 157.0
[M+K]+ 238.06288 148.3
[M+H-H2O]+ 182.09698 136.2
[M+HCOO]- 244.09792 163.8
[M+CH3COO]- 258.11357 155.7
[M+Na-2H]- 220.07439 150.8
[M]+ 199.09917 144.5
[M]- 199.10027 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.