CID 573206

2-methoxy-5-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=CN=C(N=C1N)OC
InChI
InChI=1S/C6H9N3O/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3,(H2,7,8,9)
InChIKey
GAUNWPNZBQOHGF-UHFFFAOYSA-N
Compound name
2-methoxy-5-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

139.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.9
[M+Na]+ 162.06377 136.8
[M-H]- 138.06727 128.2
[M+NH4]+ 157.10837 146.0
[M+K]+ 178.03771 135.3
[M+H-H2O]+ 122.07181 120.0
[M+HCOO]- 184.07275 150.5
[M+CH3COO]- 198.08840 176.0
[M+Na-2H]- 160.04922 134.7
[M]+ 139.07400 127.2
[M]- 139.07510 127.2
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

patents stripe