CID 32107

23824-33-1

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(C)COC(=O)C1C2=C(C=C(C=C2)O)C(CN1)O

InChI

InChI=1S/C14H19NO4/c1-8(2)7-19-14(18)13-10-4-3-9(16)5-11(10)12(17)6-15-13/h3-5,8,12-13,15-17H,6-7H2,1-2H3

InChIKey

CFWZZSMSRRLHCB-UHFFFAOYSA-N

Compound name

2-methylpropyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1314 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.138676	160.8
[M+Na]+	288.120618	166.4
[M-H]-	264.124124	159.5
[M+NH4]+	283.165223	175.2
[M+K]+	304.094558	163.0
[M+H-H2O]+	248.128660	154.5
[M+HCOO]-	310.129601	173.8
[M+CH3COO]-	324.145251	192.0
[M+Na-2H]-	286.106066	161.9
[M]+	265.13085142	158.4
[M]-	265.13194858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe