CID 57864546

1-bromo-3-methylcyclopentane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1CCC(C1)Br
InChI
InChI=1S/C6H11Br/c1-5-2-3-6(7)4-5/h5-6H,2-4H2,1H3
InChIKey
RWMACSHFTGJPQM-UHFFFAOYSA-N
Compound name
1-bromo-3-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 131.1
[M+Na]+ 184.993628 142.2
[M-H]- 160.997134 137.3
[M+NH4]+ 180.038233 157.2
[M+K]+ 200.967568 132.6
[M+H-H2O]+ 145.001670 132.4
[M+HCOO]- 207.002611 152.0
[M+CH3COO]- 221.018261 175.6
[M+Na-2H]- 182.979076 136.9
[M]+ 162.00386142 146.7
[M]- 162.00495858 146.7
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

patents stripe