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

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 160.8
[M+Na]+ 288.12062 166.4
[M-H]- 264.12412 159.5
[M+NH4]+ 283.16522 175.2
[M+K]+ 304.09456 163.0
[M+H-H2O]+ 248.12866 154.5
[M+HCOO]- 310.12960 173.8
[M+CH3COO]- 324.14525 192.0
[M+Na-2H]- 286.10607 161.9
[M]+ 265.13085 158.4
[M]- 265.13195 158.4
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