CID 638104

3-bromoprop-2-yn-1-ol

Structural Information

Molecular Formula
C3H3BrO
SMILES
C(C#CBr)O
InChI
InChI=1S/C3H3BrO/c4-2-1-3-5/h5H,3H2
InChIKey
IWUPQTNPVKDCSX-UHFFFAOYSA-N
Compound name
3-bromoprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

133.93674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.94402 113.4
[M+Na]+ 156.92596 127.3
[M-H]- 132.92946 114.0
[M+NH4]+ 151.97056 135.6
[M+K]+ 172.89990 117.0
[M+H-H2O]+ 116.93400 109.1
[M+HCOO]- 178.93494 131.6
[M+CH3COO]- 192.95059 176.5
[M+Na-2H]- 154.91141 122.1
[M]+ 133.93619 124.3
[M]- 133.93729 124.3
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