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

24
Patents

293.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 166.2
[M+Na]+ 316.115518 172.4
[M-H]- 292.119024 166.5
[M+NH4]+ 311.160123 180.2
[M+K]+ 332.089458 170.4
[M+H-H2O]+ 276.123560 160.1
[M+HCOO]- 338.124501 179.2
[M+CH3COO]- 352.140151 197.9
[M+Na-2H]- 314.100966 168.5
[M]+ 293.12575142 166.1
[M]- 293.12684858 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