CID 218675

41166-87-4

Structural Information

Molecular Formula
C12H15BrN2
SMILES
CN1CCC2C(C1)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H15BrN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,10,12,14H,4-5,7H2,1H3
InChIKey
ZZUPJULNHRLUFC-UHFFFAOYSA-N
Compound name
8-bromo-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04187 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04915 157.0
[M+Na]+ 289.03109 168.2
[M-H]- 265.03459 160.8
[M+NH4]+ 284.07569 178.1
[M+K]+ 305.00503 155.7
[M+H-H2O]+ 249.03913 156.7
[M+HCOO]- 311.04007 170.7
[M+CH3COO]- 325.05572 169.9
[M+Na-2H]- 287.01654 161.9
[M]+ 266.04132 171.2
[M]- 266.04242 171.2
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.