CID 21919393

3-(pyrimidin-2-yl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN=C(N=C1)C#CCO
InChI
InChI=1S/C7H6N2O/c10-6-1-3-7-8-4-2-5-9-7/h2,4-5,10H,6H2
InChIKey
FQDFCZIYPKOIIF-UHFFFAOYSA-N
Compound name
3-pyrimidin-2-ylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

134.04802 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 125.0
[M+Na]+ 157.037238 135.0
[M-H]- 133.040744 122.8
[M+NH4]+ 152.081843 141.1
[M+K]+ 173.011178 131.6
[M+H-H2O]+ 117.045280 111.9
[M+HCOO]- 179.046221 140.6
[M+CH3COO]- 193.061871 176.7
[M+Na-2H]- 155.022686 132.6
[M]+ 134.04747142 118.4
[M]- 134.04856858 118.4
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