CID 442107

Hypaphorine

Structural Information

Molecular Formula
C14H19N2O2
SMILES
C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/p+1/t13-/m0/s1
InChIKey
AOHCBEAZXHZMOR-ZDUSSCGKSA-O
Compound name
[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

434
Patents

247.14465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15193 155.4
[M+Na]+ 270.13387 162.3
[M-H]- 246.13737 157.9
[M+NH4]+ 265.17847 173.2
[M+K]+ 286.10781 153.5
[M+H-H2O]+ 230.14191 152.0
[M+HCOO]- 292.14285 175.1
[M+CH3COO]- 306.15850 187.6
[M+Na-2H]- 268.11932 163.0
[M]+ 247.14410 155.0
[M]- 247.14520 155.0
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.