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

6
Patents

162.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 129.3
[M+Na]+ 184.993628 141.8
[M-H]- 160.997134 136.6
[M+NH4]+ 180.038233 149.1
[M+K]+ 200.967568 131.6
[M+H-H2O]+ 145.001670 129.2
[M+HCOO]- 207.002611 150.2
[M+CH3COO]- 221.018261 181.0
[M+Na-2H]- 182.979076 136.8
[M]+ 162.00386142 148.6
[M]- 162.00495858 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