CID 53308482

1-(bromomethyl)-3-methylcyclobutane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1CC(C1)CBr
InChI
InChI=1S/C6H11Br/c1-5-2-6(3-5)4-7/h5-6H,2-4H2,1H3
InChIKey
CQGSAQQXRNAGKV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

162.00441 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 118.9
[M+Na]+ 184.993628 129.1
[M-H]- 160.997134 125.3
[M+NH4]+ 180.038233 137.5
[M+K]+ 200.967568 122.5
[M+H-H2O]+ 145.001670 115.8
[M+HCOO]- 207.002611 139.0
[M+CH3COO]- 221.018261 180.8
[M+Na-2H]- 182.979076 127.0
[M]+ 162.00386142 143.8
[M]- 162.00495858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe