CID 117111

1-undecyne, 11-bromo-

Structural Information

Molecular Formula
C11H19Br
SMILES
C#CCCCCCCCCCBr
InChI
InChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h1H,3-11H2
InChIKey
DMAQFVRPONMOMR-UHFFFAOYSA-N
Compound name
11-bromoundec-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

230.06702 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07430 141.0
[M+Na]+ 253.05624 152.6
[M-H]- 229.05974 141.7
[M+NH4]+ 248.10084 160.6
[M+K]+ 269.03018 140.7
[M+H-H2O]+ 213.06428 135.4
[M+HCOO]- 275.06522 158.1
[M+CH3COO]- 289.08087 198.0
[M+Na-2H]- 251.04169 146.6
[M]+ 230.06647 154.9
[M]- 230.06757 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe