CID 12870234

1-bromospiro[2.4]heptane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CCC2(C1)CC2Br
InChI
InChI=1S/C7H11Br/c8-6-5-7(6)3-1-2-4-7/h6H,1-5H2
InChIKey
BYSNPKHMJBOSAI-UHFFFAOYSA-N
Compound name
2-bromospiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 134.4
[M+Na]+ 196.993628 147.5
[M-H]- 172.997134 143.6
[M+NH4]+ 192.038233 157.3
[M+K]+ 212.967568 137.7
[M+H-H2O]+ 157.001670 135.7
[M+HCOO]- 219.002611 154.9
[M+CH3COO]- 233.018261 179.4
[M+Na-2H]- 194.979076 142.1
[M]+ 174.00386142 151.5
[M]- 174.00495858 151.5
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.