CID 37525

36769-44-5

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O
InChI
InChI=1S/C14H19NO4/c1-3-6-19-14(18)13-10-5-4-9(16)7-11(10)12(17)8-15(13)2/h4-5,7,12-13,16-17H,3,6,8H2,1-2H3
InChIKey
UYQLMPDQOLGGOL-UHFFFAOYSA-N
Compound name
propyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.3
[M+Na]+ 288.12062 167.5
[M-H]- 264.12412 160.7
[M+NH4]+ 283.16522 175.7
[M+K]+ 304.09456 164.5
[M+H-H2O]+ 248.12866 153.7
[M+HCOO]- 310.12960 175.8
[M+CH3COO]- 324.14525 194.7
[M+Na-2H]- 286.10607 162.3
[M]+ 265.13085 160.7
[M]- 265.13195 160.7
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.