CID 170911659

1-(bromomethyl)-1-methyl-3-methylidenecyclobutane

Structural Information

Molecular Formula
C7H11Br
SMILES
CC1(CC(=C)C1)CBr
InChI
InChI=1S/C7H11Br/c1-6-3-7(2,4-6)5-8/h1,3-5H2,2H3
InChIKey
KUGKSNJYGJNWAF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methyl-3-methylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 121.5
[M+Na]+ 196.993628 132.4
[M-H]- 172.997134 128.3
[M+NH4]+ 192.038233 141.5
[M+K]+ 212.967568 125.0
[M+H-H2O]+ 157.001670 119.7
[M+HCOO]- 219.002611 141.5
[M+CH3COO]- 233.018261 182.3
[M+Na-2H]- 194.979076 130.2
[M]+ 174.00386142 146.6
[M]- 174.00495858 146.6
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

No patent data available for this compound.