CID 395240

Nsc699715

Structural Information

Molecular Formula
C10H10N4O
SMILES
C1=CN(C2=NC=NC(=C21)N)CC#CCO
InChI
InChI=1S/C10H10N4O/c11-9-8-3-5-14(4-1-2-6-15)10(8)13-7-12-9/h3,5,7,15H,4,6H2,(H2,11,12,13)
InChIKey
CYRQIJMBNCTYBP-UHFFFAOYSA-N
Compound name
4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 144.0
[M+Na]+ 225.07468 155.6
[M-H]- 201.07818 141.0
[M+NH4]+ 220.11928 158.6
[M+K]+ 241.04862 149.7
[M+H-H2O]+ 185.08272 129.4
[M+HCOO]- 247.08366 159.3
[M+CH3COO]- 261.09931 154.1
[M+Na-2H]- 223.06013 148.9
[M]+ 202.08491 138.5
[M]- 202.08601 138.5
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.