CID 201812

Beta-erythroidinol

Structural Information

Molecular Formula
C16H23NO3
SMILES
CO[C@@H]1CC23C(=CCN2CCC(=C3CCO)CO)C=C1
InChI
InChI=1S/C16H23NO3/c1-20-14-3-2-13-5-8-17-7-4-12(11-19)15(6-9-18)16(13,17)10-14/h2-3,5,14,18-19H,4,6-11H2,1H3/t14-,16?/m0/s1
InChIKey
MYDVWTSIOHNXED-LBAUFKAWSA-N
Compound name
2-[(10R)-2-(hydroxymethyl)-10-methoxy-4,6,10,11-tetrahydro-3H-pyrido[2,1-i]indol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.2
[M+Na]+ 300.15702 172.5
[M-H]- 276.16052 167.6
[M+NH4]+ 295.20162 185.3
[M+K]+ 316.13096 168.1
[M+H-H2O]+ 260.16506 159.6
[M+HCOO]- 322.16600 180.9
[M+CH3COO]- 336.18165 195.1
[M+Na-2H]- 298.14247 168.9
[M]+ 277.16725 165.1
[M]- 277.16835 165.1
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.