CID 3080014

126921-38-8

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1CCN(CC1)CC(C2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C16H20N2O/c19-16(12-18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)17-15/h2-3,6-9,16,19H,1,4-5,10-12H2
InChIKey
WRYOEBSWRAKPGB-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1-quinolin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 160.5
[M+Na]+ 279.146778 164.6
[M-H]- 255.150284 162.5
[M+NH4]+ 274.191383 174.2
[M+K]+ 295.120718 159.8
[M+H-H2O]+ 239.154820 151.0
[M+HCOO]- 301.155761 174.6
[M+CH3COO]- 315.171411 169.7
[M+Na-2H]- 277.132226 165.3
[M]+ 256.15701142 154.9
[M]- 256.15810858 154.9
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

No patent data available for this compound.