CID 70347

945-24-4

Structural Information

Molecular Formula
C7H8N6O
SMILES
C1=C(N=C2C(=NC(=NC2=N1)N)N)CO
InChI
InChI=1S/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)
InChIKey
CYNARAWTVHQHDI-UHFFFAOYSA-N
Compound name
(2,4-diaminopteridin-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

223
Patents

192.07596 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08324 141.5
[M+Na]+ 215.06518 152.2
[M-H]- 191.06868 139.6
[M+NH4]+ 210.10978 155.5
[M+K]+ 231.03912 147.7
[M+H-H2O]+ 175.07322 133.1
[M+HCOO]- 237.07416 160.8
[M+CH3COO]- 251.08981 153.0
[M+Na-2H]- 213.05063 150.4
[M]+ 192.07541 139.1
[M]- 192.07651 139.1
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