CID 43135431

(3-bromopropoxy)cyclohexane

Structural Information

Molecular Formula
C9H17BrO
SMILES
C1CCC(CC1)OCCCBr
InChI
InChI=1S/C9H17BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
BEADYWMTBPCTRS-UHFFFAOYSA-N
Compound name
3-bromopropoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.04628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053556 145.4
[M+Na]+ 243.035498 153.1
[M-H]- 219.039004 150.3
[M+NH4]+ 238.080103 167.1
[M+K]+ 259.009438 143.2
[M+H-H2O]+ 203.043540 145.5
[M+HCOO]- 265.044481 163.4
[M+CH3COO]- 279.060131 185.0
[M+Na-2H]- 241.020946 151.4
[M]+ 220.04573142 161.1
[M]- 220.04682858 161.1
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