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

29
Patents

147.98875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 114.4
[M+Na]+ 170.97797 125.0
[M-H]- 146.98147 121.2
[M+NH4]+ 166.02257 135.2
[M+K]+ 186.95191 118.7
[M+H-H2O]+ 130.98601 112.8
[M+HCOO]- 192.98695 135.0
[M+CH3COO]- 207.00260 176.7
[M+Na-2H]- 168.96342 124.7
[M]+ 147.98820 139.2
[M]- 147.98930 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