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]+ 187.01169 119.1
[M+Na]+ 208.99363 131.3
[M-H]- 184.99713 123.5
[M+NH4]+ 204.03823 136.5
[M+K]+ 224.96757 123.4
[M+H-H2O]+ 169.00167 111.7
[M+HCOO]- 231.00261 136.2
[M+CH3COO]- 245.01826 191.3
[M+Na-2H]- 206.97908 127.7
[M]+ 186.00386 137.2
[M]- 186.00496 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.