CID 54346043

134362-45-1

Structural Information

Molecular Formula
C7H11Br
SMILES
C1C[C@@H](CC=C1)CBr
InChI
InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2/t7-/m1/s1
InChIKey
UCJOBPVWCIRPSU-SSDOTTSWSA-N
Compound name
(4S)-4-(bromomethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe