CID 12473473

4-bromobut-2-yn-1-ol

Structural Information

Molecular Formula
C4H5BrO
SMILES
C(C#CCBr)O
InChI
InChI=1S/C4H5BrO/c5-3-1-2-4-6/h6H,3-4H2
InChIKey
JAEJDMMPAMYPCZ-UHFFFAOYSA-N
Compound name
4-bromobut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

147.95238 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.959656 117.6
[M+Na]+ 170.941598 131.3
[M-H]- 146.945104 118.2
[M+NH4]+ 165.986203 139.5
[M+K]+ 186.915538 120.7
[M+H-H2O]+ 130.949640 113.2
[M+HCOO]- 192.950581 135.6
[M+CH3COO]- 206.966231 178.4
[M+Na-2H]- 168.927046 125.9
[M]+ 147.95183142 128.8
[M]- 147.95292858 128.8
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