CID 639591

N-methoxy-1-vinyl-beta-carboline

Structural Information

Molecular Formula
C14H12N2O
SMILES
CON1C2=CC=CC=C2C3=C1C(=NC=C3)C=C
InChI
InChI=1S/C14H12N2O/c1-3-12-14-11(8-9-15-12)10-6-4-5-7-13(10)16(14)17-2/h3-9H,1H2,2H3
InChIKey
CXIOSEMXFPKHOB-UHFFFAOYSA-N
Compound name
1-ethenyl-9-methoxypyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.09496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.7
[M+Na]+ 247.08418 160.8
[M-H]- 223.08768 152.5
[M+NH4]+ 242.12878 168.8
[M+K]+ 263.05812 155.6
[M+H-H2O]+ 207.09222 141.2
[M+HCOO]- 269.09316 171.3
[M+CH3COO]- 283.10881 162.5
[M+Na-2H]- 245.06963 156.4
[M]+ 224.09441 153.0
[M]- 224.09551 153.0
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