CID 20484627

83395-38-4

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C#CCOC(=O)N1C=CN=C1
InChI
InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2
InChIKey
LLVCOZOEWQQTAV-UHFFFAOYSA-N
Compound name
prop-2-ynyl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

150.04292 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 128.0
[M+Na]+ 173.03214 138.2
[M-H]- 149.03564 127.1
[M+NH4]+ 168.07674 145.6
[M+K]+ 189.00608 136.2
[M+H-H2O]+ 133.04018 114.3
[M+HCOO]- 195.04112 145.0
[M+CH3COO]- 209.05677 180.9
[M+Na-2H]- 171.01759 132.6
[M]+ 150.04237 123.8
[M]- 150.04347 123.8
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