CID 54472713

5-(2-bromoethoxy)pent-1-yne

Structural Information

Molecular Formula
C7H11BrO
SMILES
C#CCCCOCCBr
InChI
InChI=1S/C7H11BrO/c1-2-3-4-6-9-7-5-8/h1H,3-7H2
InChIKey
HPWFFEGKAIDMRH-UHFFFAOYSA-N
Compound name
5-(2-bromoethoxy)pent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

189.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 127.1
[M+Na]+ 212.98855 140.0
[M-H]- 188.99205 128.4
[M+NH4]+ 208.03315 148.1
[M+K]+ 228.96249 129.5
[M+H-H2O]+ 172.99659 122.0
[M+HCOO]- 234.99753 145.5
[M+CH3COO]- 249.01318 189.5
[M+Na-2H]- 210.97400 134.6
[M]+ 189.99878 141.0
[M]- 189.99988 141.0
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