CID 15570337

80204-24-6

Structural Information

Molecular Formula
C5H9Br
SMILES
CC1(CCC1)Br
InChI
InChI=1S/C5H9Br/c1-5(6)3-2-4-5/h2-4H2,1H3
InChIKey
QSTWOFDDPACDDT-UHFFFAOYSA-N
Compound name
1-bromo-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

147.98875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 114.4
[M+Na]+ 170.977968 125.0
[M-H]- 146.981474 121.2
[M+NH4]+ 166.022573 135.2
[M+K]+ 186.951908 118.7
[M+H-H2O]+ 130.986010 112.8
[M+HCOO]- 192.986951 135.0
[M+CH3COO]- 207.002601 176.7
[M+Na-2H]- 168.963416 124.7
[M]+ 147.98820142 139.2
[M]- 147.98929858 139.2
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