CID 22258602

362492-00-0

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)C=CC(=C2)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-7-6-9-8-10(17)4-5-11(9)12(16)13(18)19/h4-5,8,12,17H,6-7H2,1-3H3,(H,18,19)
InChIKey
KCDBTPOYUDNXBR-UHFFFAOYSA-N
Compound name
6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

293.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.2
[M+Na]+ 316.11552 172.4
[M-H]- 292.11902 166.5
[M+NH4]+ 311.16012 180.2
[M+K]+ 332.08946 170.4
[M+H-H2O]+ 276.12356 160.1
[M+HCOO]- 338.12450 179.2
[M+CH3COO]- 352.14015 197.9
[M+Na-2H]- 314.10097 168.5
[M]+ 293.12575 166.1
[M]- 293.12685 166.1
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

patents stripe