CID 3024641

96783-20-9

Structural Information

Molecular Formula
C12H14BrNO
SMILES
C1CCC(C(=O)C1)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C12H14BrNO/c13-10-6-4-9(5-7-10)12(14)8-2-1-3-11(12)15/h4-7H,1-3,8,14H2
InChIKey
CPNHQDBBJKLYQL-UHFFFAOYSA-N
Compound name
2-amino-2-(4-bromophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02588 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.033156 152.3
[M+Na]+ 290.015098 161.8
[M-H]- 266.018604 160.6
[M+NH4]+ 285.059703 173.6
[M+K]+ 305.989038 150.1
[M+H-H2O]+ 250.023140 152.1
[M+HCOO]- 312.024081 171.4
[M+CH3COO]- 326.039731 193.9
[M+Na-2H]- 288.000546 158.2
[M]+ 267.02533142 165.6
[M]- 267.02642858 165.6
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.