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]+ 191.006606 127.1
[M+Na]+ 212.988548 140.0
[M-H]- 188.992054 128.4
[M+NH4]+ 208.033153 148.1
[M+K]+ 228.962488 129.5
[M+H-H2O]+ 172.996590 122.0
[M+HCOO]- 234.997531 145.5
[M+CH3COO]- 249.013181 189.5
[M+Na-2H]- 210.973996 134.6
[M]+ 189.99878142 141.0
[M]- 189.99987858 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