CID 202973

Brn 0520110

Structural Information

Molecular Formula
C12H13BrN2
SMILES
CC1CC2=C(CN1)NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H13BrN2/c1-7-4-9-10-5-8(13)2-3-11(10)15-12(9)6-14-7/h2-3,5,7,14-15H,4,6H2,1H3
InChIKey
ZSVPGGVDEKOFJA-UHFFFAOYSA-N
Compound name
6-bromo-3-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03348 155.5
[M+Na]+ 287.01542 159.5
[M+NH4]+ 282.06002 161.0
[M+K]+ 302.98936 159.5
[M-H]- 263.01892 155.7
[M+Na-2H]- 285.00087 157.0
[M]+ 264.02565 154.9
[M]- 264.02675 154.9
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.