CID 21788252

Thbetac

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1C2=C(CCN1)C3=C(N2)C=CC=C3O
InChI
InChI=1S/C12H14N2O/c1-7-12-8(5-6-13-7)11-9(14-12)3-2-4-10(11)15/h2-4,7,13-15H,5-6H2,1H3
InChIKey
CKAPKIRGAPRHBU-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

212
References

5
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.0
[M+Na]+ 225.09983 153.5
[M-H]- 201.10333 143.3
[M+NH4]+ 220.14443 162.9
[M+K]+ 241.07377 147.1
[M+H-H2O]+ 185.10787 137.8
[M+HCOO]- 247.10881 159.7
[M+CH3COO]- 261.12446 155.5
[M+Na-2H]- 223.08528 149.5
[M]+ 202.11006 140.1
[M]- 202.11116 140.1
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