CID 70404964

1-bromo-3-propylcyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CCCC1CC(C1)Br
InChI
InChI=1S/C7H13Br/c1-2-3-6-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKey
QFSZXDOMMYPRKG-UHFFFAOYSA-N
Compound name
1-bromo-3-propylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 123.6
[M+Na]+ 199.00929 133.4
[M-H]- 175.01279 129.8
[M+NH4]+ 194.05389 141.7
[M+K]+ 214.98323 126.5
[M+H-H2O]+ 159.01733 120.3
[M+HCOO]- 221.01827 143.4
[M+CH3COO]- 235.03392 183.5
[M+Na-2H]- 196.99474 131.2
[M]+ 176.01952 148.9
[M]- 176.02062 148.9
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