CID 85529750

2-bromospiro[3.3]heptane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC2(C1)CC(C2)Br
InChI
InChI=1S/C7H11Br/c8-6-4-7(5-6)2-1-3-7/h6H,1-5H2
InChIKey
HIRZDAOWARBVFV-UHFFFAOYSA-N
Compound name
2-bromospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.00441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 109.2
[M+Na]+ 196.99363 117.9
[M-H]- 172.99713 117.4
[M+NH4]+ 192.03823 122.5
[M+K]+ 212.96757 114.3
[M+H-H2O]+ 157.00167 103.8
[M+HCOO]- 219.00261 127.0
[M+CH3COO]- 233.01826 190.0
[M+Na-2H]- 194.97908 119.2
[M]+ 174.00386 138.7
[M]- 174.00496 138.7
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

patents stripe