CID 92968947

Rac-(1r,2s)-2-bromocyclohexan-1-amine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
C1CC[C@@H]([C@@H](C1)N)Br
InChI
InChI=1S/C6H12BrN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKey
AQBYKNASJVORLT-NTSWFWBYSA-N
Compound name
(1R,2S)-2-bromocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 132.8
[M+Na]+ 200.00452 141.6
[M-H]- 176.00802 137.9
[M+NH4]+ 195.04912 155.7
[M+K]+ 215.97846 131.2
[M+H-H2O]+ 160.01256 133.0
[M+HCOO]- 222.01350 151.8
[M+CH3COO]- 236.02915 179.4
[M+Na-2H]- 197.98997 138.9
[M]+ 177.01475 144.7
[M]- 177.01585 144.7
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.