CID 202975

Brn 0526943

Structural Information

Molecular Formula
C13H15BrN2
SMILES
CC1(CNCC2=C1C3=C(N2)C=CC(=C3)Br)C
InChI
InChI=1S/C13H15BrN2/c1-13(2)7-15-6-11-12(13)9-5-8(14)3-4-10(9)16-11/h3-5,15-16H,6-7H2,1-2H3
InChIKey
MLINZFHAMHTCLV-UHFFFAOYSA-N
Compound name
6-bromo-4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.04187 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04915 157.5
[M+Na]+ 301.03109 170.8
[M-H]- 277.03459 161.1
[M+NH4]+ 296.07569 179.7
[M+K]+ 317.00503 157.1
[M+H-H2O]+ 261.03913 157.9
[M+HCOO]- 323.04007 172.3
[M+CH3COO]- 337.05572 171.0
[M+Na-2H]- 299.01654 164.6
[M]+ 278.04132 173.6
[M]- 278.04242 173.6
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.