CID 5470325

Nsc699716

Structural Information

Molecular Formula
C10H12N4O
SMILES
C1=CN(C2=NC=NC(=C21)N)C/C=C/CO
InChI
InChI=1S/C10H12N4O/c11-9-8-3-5-14(4-1-2-6-15)10(8)13-7-12-9/h1-3,5,7,15H,4,6H2,(H2,11,12,13)/b2-1+
InChIKey
VBIAGLNRNULIDS-OWOJBTEDSA-N
Compound name
(E)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.9
[M+Na]+ 227.09032 154.3
[M-H]- 203.09382 143.4
[M+NH4]+ 222.13492 161.1
[M+K]+ 243.06426 149.4
[M+H-H2O]+ 187.09836 136.0
[M+HCOO]- 249.09930 165.7
[M+CH3COO]- 263.11495 184.2
[M+Na-2H]- 225.07577 150.7
[M]+ 204.10055 144.6
[M]- 204.10165 144.6
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.