CID 165968414

En300-39855764

Structural Information

Molecular Formula
C11H9N3O2
SMILES
COC(=O)C1=C2C=CN(C2=NC=N1)CC#C
InChI
InChI=1S/C11H9N3O2/c1-3-5-14-6-4-8-9(11(15)16-2)12-7-13-10(8)14/h1,4,6-7H,5H2,2H3
InChIKey
GBCLNOFAELESRR-UHFFFAOYSA-N
Compound name
methyl 7-prop-2-ynylpyrrolo[2,3-d]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 144.7
[M+Na]+ 238.05869 157.0
[M-H]- 214.06219 143.4
[M+NH4]+ 233.10329 159.8
[M+K]+ 254.03263 152.2
[M+H-H2O]+ 198.06673 130.0
[M+HCOO]- 260.06767 160.1
[M+CH3COO]- 274.08332 194.2
[M+Na-2H]- 236.04414 149.1
[M]+ 215.06892 142.9
[M]- 215.07002 142.9
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

No patent data available for this compound.