CID 65275

20535-83-5

Structural Information

Molecular Formula
C6H7N5O
SMILES
COC1=NC(=NC2=C1NC=N2)N
InChI
InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
BXJHWYVXLGLDMZ-UHFFFAOYSA-N
Compound name
6-methoxy-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

991
References

6720
Patents

165.06506 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.072336 131.3
[M+Na]+ 188.054278 143.1
[M-H]- 164.057784 130.1
[M+NH4]+ 183.098883 148.7
[M+K]+ 204.028218 139.6
[M+H-H2O]+ 148.062320 123.4
[M+HCOO]- 210.063261 152.8
[M+CH3COO]- 224.078911 144.6
[M+Na-2H]- 186.039726 140.1
[M]+ 165.06451142 132.0
[M]- 165.06560858 132.0
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