CID 54346043

(4s)-4-(bromomethyl)cyclohex-1-ene

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]+ 175.011686 130.8
[M+Na]+ 196.993628 140.4
[M-H]- 172.997134 136.5
[M+NH4]+ 192.038233 154.4
[M+K]+ 212.967568 130.4
[M+H-H2O]+ 157.001670 131.7
[M+HCOO]- 219.002611 150.7
[M+CH3COO]- 233.018261 177.2
[M+Na-2H]- 194.979076 139.0
[M]+ 174.00386142 145.9
[M]- 174.00495858 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