CID 376604

Nsc657615

Structural Information

Molecular Formula
C9H11N5O
SMILES
C=CCOCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C9H11N5O/c1-2-3-15-6-14-5-13-7-8(10)11-4-12-9(7)14/h2,4-5H,1,3,6H2,(H2,10,11,12)
InChIKey
CTMCPHCABLRODL-UHFFFAOYSA-N
Compound name
9-(prop-2-enoxymethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10364 143.5
[M+Na]+ 228.08558 154.6
[M-H]- 204.08908 143.0
[M+NH4]+ 223.13018 159.8
[M+K]+ 244.05952 150.7
[M+H-H2O]+ 188.09362 134.6
[M+HCOO]- 250.09456 165.6
[M+CH3COO]- 264.11021 187.3
[M+Na-2H]- 226.07103 151.1
[M]+ 205.09581 146.2
[M]- 205.09691 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.