CID 10986785

1-(bromomethyl)-2-methylcyclopentene

Structural Information

Molecular Formula
C7H11Br
SMILES
CC1=C(CCC1)CBr
InChI
InChI=1S/C7H11Br/c1-6-3-2-4-7(6)5-8/h2-5H2,1H3
InChIKey
MGMDLYDGPILRPX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

174.00441 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 133.1
[M+Na]+ 196.99363 144.8
[M-H]- 172.99713 139.5
[M+NH4]+ 192.03823 158.9
[M+K]+ 212.96757 134.8
[M+H-H2O]+ 157.00167 134.2
[M+HCOO]- 219.00261 155.1
[M+CH3COO]- 233.01826 178.0
[M+Na-2H]- 194.97908 139.3
[M]+ 174.00386 150.5
[M]- 174.00496 150.5
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