CID 11357887

170097-67-3

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey
UHOIFEOHBGCPHE-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.4
[M+Na]+ 300.12062 169.3
[M-H]- 276.12412 164.8
[M+NH4]+ 295.16522 178.6
[M+K]+ 316.09456 167.3
[M+H-H2O]+ 260.12866 157.0
[M+HCOO]- 322.12960 177.7
[M+CH3COO]- 336.14525 196.7
[M+Na-2H]- 298.10607 166.6
[M]+ 277.13085 163.2
[M]- 277.13195 163.2
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