CID 71028

Adrenoglomerulotropin

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1C2=C(CCN1)C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKey
RDUORFDQRFHYBF-UHFFFAOYSA-N
Compound name
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1721
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.3
[M+Na]+ 239.11549 157.7
[M-H]- 215.11899 148.7
[M+NH4]+ 234.16009 167.3
[M+K]+ 255.08943 152.0
[M+H-H2O]+ 199.12353 141.5
[M+HCOO]- 261.12447 165.1
[M+CH3COO]- 275.14012 160.1
[M+Na-2H]- 237.10094 153.7
[M]+ 216.12572 146.5
[M]- 216.12682 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe