CID 135398563

7-aminomethyl-7-carbaguanine

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=C(C2=C(N1)N=C(NC2=O)N)CN
InChI
InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
InChIKey
MEYMBLGOKYDGLZ-UHFFFAOYSA-N
Compound name
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

48
References

1755
Patents

179.0807 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 134.8
[M+Na]+ 202.06992 146.1
[M-H]- 178.07342 133.5
[M+NH4]+ 197.11452 152.0
[M+K]+ 218.04386 140.8
[M+H-H2O]+ 162.07796 127.8
[M+HCOO]- 224.07890 156.5
[M+CH3COO]- 238.09455 147.4
[M+Na-2H]- 200.05537 141.6
[M]+ 179.08015 131.6
[M]- 179.08125 131.6
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

patents stripe