CID 12734833

(3-bromopropyl)cyclopropane

Structural Information

Molecular Formula
C6H11Br
SMILES
C1CC1CCCBr
InChI
InChI=1S/C6H11Br/c7-5-1-2-6-3-4-6/h6H,1-5H2
InChIKey
BMONZYQFNWMIRK-UHFFFAOYSA-N
Compound name
3-bromopropylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

162.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 129.2
[M+Na]+ 184.993628 141.9
[M-H]- 160.997134 136.4
[M+NH4]+ 180.038233 149.0
[M+K]+ 200.967568 131.5
[M+H-H2O]+ 145.001670 129.1
[M+HCOO]- 207.002611 151.0
[M+CH3COO]- 221.018261 180.3
[M+Na-2H]- 182.979076 137.8
[M]+ 162.00386142 149.1
[M]- 162.00495858 149.1
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