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]+ 175.011686 109.2
[M+Na]+ 196.993628 117.9
[M-H]- 172.997134 117.4
[M+NH4]+ 192.038233 122.5
[M+K]+ 212.967568 114.3
[M+H-H2O]+ 157.001670 103.8
[M+HCOO]- 219.002611 127.0
[M+CH3COO]- 233.018261 190.0
[M+Na-2H]- 194.979076 119.2
[M]+ 174.00386142 138.7
[M]- 174.00495858 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