CID 122163757

1909294-91-2

Structural Information

Molecular Formula
C7H11Br2N
SMILES
C[C@]12CCNC[C@H]1C2(Br)Br
InChI
InChI=1S/C7H11Br2N/c1-6-2-3-10-4-5(6)7(6,8)9/h5,10H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
HCFDAGZZMBDPDF-RITPCOANSA-N
Compound name
(1S,6S)-7,7-dibromo-6-methyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9258 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.93308 142.5
[M+Na]+ 289.91502 155.0
[M-H]- 265.91852 148.8
[M+NH4]+ 284.95962 161.3
[M+K]+ 305.88896 140.2
[M+H-H2O]+ 249.92306 152.1
[M+HCOO]- 311.92400 154.2
[M+CH3COO]- 325.93965 155.9
[M+Na-2H]- 287.90047 151.3
[M]+ 266.92525 174.6
[M]- 266.92635 174.6
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.