CID 155822084

2490398-78-0

Structural Information

Molecular Formula
C9H13Br
SMILES
C1CC2(C1)C(C23CCC3)Br
InChI
InChI=1S/C9H13Br/c10-7-8(3-1-4-8)9(7)5-2-6-9/h7H,1-6H2
InChIKey
ZIISQLISPOBYDZ-UHFFFAOYSA-N
Compound name
9-bromodispiro[3.0.35.14]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02735 119.1
[M+Na]+ 223.00929 129.8
[M-H]- 199.01279 129.9
[M+NH4]+ 218.05389 129.9
[M+K]+ 238.98323 126.3
[M+H-H2O]+ 183.01733 114.9
[M+HCOO]- 245.01827 136.0
[M+CH3COO]- 259.03392 196.6
[M+Na-2H]- 220.99474 129.3
[M]+ 200.01952 149.8
[M]- 200.02062 149.8
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.