CID 81229343

1-bromo-3-methoxycyclohexane

Structural Information

Molecular Formula
C7H13BrO
SMILES
COC1CCCC(C1)Br
InChI
InChI=1S/C7H13BrO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKey
SSZDRDDLMFSIGC-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 135.5
[M+Na]+ 215.00420 144.9
[M-H]- 191.00770 141.2
[M+NH4]+ 210.04880 158.6
[M+K]+ 230.97814 135.5
[M+H-H2O]+ 175.01224 136.3
[M+HCOO]- 237.01318 154.2
[M+CH3COO]- 251.02883 180.3
[M+Na-2H]- 212.98965 142.0
[M]+ 192.01443 150.9
[M]- 192.01553 150.9
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

No patent data available for this compound.