CID 36936

3-(bromomethyl)cyclohexene

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC=CC(C1)CBr
InChI
InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKey
NRDIHSPUUCHBQG-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

174.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 130.8
[M+Na]+ 196.99363 140.4
[M-H]- 172.99713 136.5
[M+NH4]+ 192.03823 154.4
[M+K]+ 212.96757 130.4
[M+H-H2O]+ 157.00167 131.7
[M+HCOO]- 219.00261 150.7
[M+CH3COO]- 233.01826 177.2
[M+Na-2H]- 194.97908 139.0
[M]+ 174.00386 145.9
[M]- 174.00496 145.9
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