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

13
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 131.1
[M+Na]+ 184.99363 142.2
[M-H]- 160.99713 137.3
[M+NH4]+ 180.03823 157.2
[M+K]+ 200.96757 132.6
[M+H-H2O]+ 145.00167 132.4
[M+HCOO]- 207.00261 152.0
[M+CH3COO]- 221.01826 175.6
[M+Na-2H]- 182.97908 136.9
[M]+ 162.00386 146.7
[M]- 162.00496 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