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 153.6
[M+Na]+ 257.12605 159.3
[M-H]- 233.12955 155.7
[M+NH4]+ 252.17065 170.5
[M+K]+ 273.09999 157.0
[M+H-H2O]+ 217.13409 146.3
[M+HCOO]- 279.13503 171.5
[M+CH3COO]- 293.15068 195.7
[M+Na-2H]- 255.11150 156.5
[M]+ 234.13628 151.3
[M]- 234.13738 151.3
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.