CID 12939509

1-bromo-1-methylcyclopentane

Structural Information

Molecular Formula
C6H11Br
SMILES
CC1(CCCC1)Br
InChI
InChI=1S/C6H11Br/c1-6(7)4-2-3-5-6/h2-5H2,1H3
InChIKey
JMIFEDFUMOQLGZ-UHFFFAOYSA-N
Compound name
1-bromo-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

162.00441 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 129.8
[M+Na]+ 184.99363 140.9
[M-H]- 160.99713 136.1
[M+NH4]+ 180.03823 157.5
[M+K]+ 200.96757 131.5
[M+H-H2O]+ 145.00167 131.8
[M+HCOO]- 207.00261 150.8
[M+CH3COO]- 221.01826 174.2
[M+Na-2H]- 182.97908 137.4
[M]+ 162.00386 145.5
[M]- 162.00496 145.5
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