CID 3075005

171011-08-8

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)OC1=C(C=C2CCCCC2=N1)C(=O)N
InChI
InChI=1S/C13H18N2O2/c1-8(2)17-13-10(12(14)16)7-9-5-3-4-6-11(9)15-13/h7-8H,3-6H2,1-2H3,(H2,14,16)
InChIKey
YQRRDRNDXQVQTQ-UHFFFAOYSA-N
Compound name
2-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.2
[M+Na]+ 257.12605 163.8
[M+NH4]+ 252.17065 160.8
[M+K]+ 273.09999 158.5
[M-H]- 233.12955 154.9
[M+Na-2H]- 255.11150 157.3
[M]+ 234.13628 154.9
[M]- 234.13738 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.