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
cis-(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]+ 178.022576 132.8
[M+Na]+ 200.004518 141.6
[M-H]- 176.008024 137.9
[M+NH4]+ 195.049123 155.7
[M+K]+ 215.978458 131.2
[M+H-H2O]+ 160.012560 133.0
[M+HCOO]- 222.013501 151.8
[M+CH3COO]- 236.029151 179.4
[M+Na-2H]- 197.989966 138.9
[M]+ 177.01475142 144.7
[M]- 177.01584858 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.