CID 71467102

5-hydroxyhypaphorine

Structural Information

Molecular Formula
C14H19N2O3
SMILES
C[N+](C)(C)C(CC1=CNC2=C1C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H18N2O3/c1-16(2,3)13(14(18)19)6-9-8-15-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,15H,6H2,1-3H3,(H-,17,18,19)/p+1
InChIKey
ONUNGEJMNLFMAU-UHFFFAOYSA-O
Compound name
[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.13956 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14684 158.2
[M+Na]+ 286.12878 165.3
[M-H]- 262.13228 159.7
[M+NH4]+ 281.17338 174.9
[M+K]+ 302.10272 156.4
[M+H-H2O]+ 246.13682 155.2
[M+HCOO]- 308.13776 176.6
[M+CH3COO]- 322.15341 188.3
[M+Na-2H]- 284.11423 165.0
[M]+ 263.13901 157.7
[M]- 263.14011 157.7
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.