CID 155821108

2490406-74-9

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C(=CC=C2)S(=O)O
InChI
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(16)15-9-5-7-10-6-4-8-11(12(10)15)20(17)18/h4,6,8H,5,7,9H2,1-3H3,(H,17,18)
InChIKey
GMBPGOPSKCNNLP-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-8-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 166.3
[M+Na]+ 320.09272 175.8
[M+NH4]+ 315.13732 172.7
[M+K]+ 336.06666 170.2
[M-H]- 296.09622 165.6
[M+Na-2H]- 318.07817 168.8
[M]+ 297.10295 167.7
[M]- 297.10405 167.7
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.