CID 66470458

(1-bromopropan-2-yl)cyclopropane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(CBr)C1CC1
InChI
InChI=1S/C6H11Br/c1-5(4-7)6-2-3-6/h5-6H,2-4H2,1H3
InChIKey
HJDAZOPVBXDQBI-UHFFFAOYSA-N
Compound name
1-bromopropan-2-ylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 129.3
[M+Na]+ 184.99363 141.8
[M-H]- 160.99713 136.6
[M+NH4]+ 180.03823 149.1
[M+K]+ 200.96757 131.6
[M+H-H2O]+ 145.00167 129.2
[M+HCOO]- 207.00261 150.2
[M+CH3COO]- 221.01826 181.0
[M+Na-2H]- 182.97908 136.8
[M]+ 162.00386 148.6
[M]- 162.00496 148.6
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