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]+ 163.01169 129.2
[M+Na]+ 184.99363 141.9
[M-H]- 160.99713 136.4
[M+NH4]+ 180.03823 149.0
[M+K]+ 200.96757 131.5
[M+H-H2O]+ 145.00167 129.1
[M+HCOO]- 207.00261 151.0
[M+CH3COO]- 221.01826 180.3
[M+Na-2H]- 182.97908 137.8
[M]+ 162.00386 149.1
[M]- 162.00496 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