CID 71758422

1-(bromomethyl)-1-(prop-2-yn-1-yl)cyclobutane

Structural Information

Molecular Formula
C8H11Br
SMILES
C#CCC1(CCC1)CBr
InChI
InChI=1S/C8H11Br/c1-2-4-8(7-9)5-3-6-8/h1H,3-7H2
InChIKey
UMJDSEZANNCYRF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-prop-2-ynylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.011686 119.1
[M+Na]+ 208.993628 131.3
[M-H]- 184.997134 123.5
[M+NH4]+ 204.038233 136.5
[M+K]+ 224.967568 123.4
[M+H-H2O]+ 169.001670 111.7
[M+HCOO]- 231.002611 136.2
[M+CH3COO]- 245.018261 191.3
[M+Na-2H]- 206.979076 127.7
[M]+ 186.00386142 137.2
[M]- 186.00495858 137.2
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

No patent data available for this compound.