CID 95430006

1807941-38-3

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CC[C@@H]2[C@H](C1)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H14BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2/t9-,11-/m1/s1
InChIKey
FWGKDJGZEJDJEF-MWLCHTKSSA-N
Compound name
(4aR,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 153.7
[M+Na]+ 274.02018 164.0
[M-H]- 250.02368 158.5
[M+NH4]+ 269.06478 176.4
[M+K]+ 289.99412 151.7
[M+H-H2O]+ 234.02822 154.1
[M+HCOO]- 296.02916 168.6
[M+CH3COO]- 310.04481 167.0
[M+Na-2H]- 272.00563 159.3
[M]+ 251.03041 167.0
[M]- 251.03151 167.0
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.