CID 202974

Brn 0522683

Structural Information

Molecular Formula
C12H13BrN2
SMILES
CC1CNCC2=C1C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H13BrN2/c1-7-5-14-6-11-12(7)9-4-8(13)2-3-10(9)15-11/h2-4,7,14-15H,5-6H2,1H3
InChIKey
UHIPVLXOPHMNRI-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0262 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03348 154.1
[M+Na]+ 287.01542 166.8
[M-H]- 263.01892 157.4
[M+NH4]+ 282.06002 174.9
[M+K]+ 302.98936 153.2
[M+H-H2O]+ 247.02346 154.2
[M+HCOO]- 309.02440 169.1
[M+CH3COO]- 323.04005 167.5
[M+Na-2H]- 285.00087 160.6
[M]+ 264.02565 169.4
[M]- 264.02675 169.4
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.