CID 527571

1-bromo-4-methylcyclohex-1-ene

Structural Information

Molecular Formula
C7H11Br
SMILES
CC1CCC(=CC1)Br
InChI
InChI=1S/C7H11Br/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3
InChIKey
LIUFYLLBQSSKQS-UHFFFAOYSA-N
Compound name
1-bromo-4-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 130.0
[M+Na]+ 196.99363 140.5
[M-H]- 172.99713 136.1
[M+NH4]+ 192.03823 154.0
[M+K]+ 212.96757 130.5
[M+H-H2O]+ 157.00167 131.1
[M+HCOO]- 219.00261 149.9
[M+CH3COO]- 233.01826 178.2
[M+Na-2H]- 194.97908 137.6
[M]+ 174.00386 145.5
[M]- 174.00496 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

No literature data available for this compound.

Patent stripe

patents stripe