CID 202978

9h-pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methoxy-4,4-dimethyl-

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1(CNCC2=C1C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C14H18N2O/c1-14(2)8-15-7-12-13(14)10-6-9(17-3)4-5-11(10)16-12/h4-6,15-16H,7-8H2,1-3H3
InChIKey
LNXGEZTVGYKWLB-UHFFFAOYSA-N
Compound name
6-methoxy-4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.3
[M+Na]+ 253.131118 163.3
[M-H]- 229.134624 153.9
[M+NH4]+ 248.175723 173.8
[M+K]+ 269.105058 157.5
[M+H-H2O]+ 213.139160 146.6
[M+HCOO]- 275.140101 169.8
[M+CH3COO]- 289.155751 165.0
[M+Na-2H]- 251.116566 159.1
[M]+ 230.14135142 152.1
[M]- 230.14244858 152.1
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

No patent data available for this compound.