CID 45080523

5-methoxy-4-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=NC(=NC=C1OC)N
InChI
InChI=1S/C6H9N3O/c1-4-5(10-2)3-8-6(7)9-4/h3H,1-2H3,(H2,7,8,9)
InChIKey
CHFIUTHZJHXEKJ-UHFFFAOYSA-N
Compound name
5-methoxy-4-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

139.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.9
[M+Na]+ 162.063768 136.8
[M-H]- 138.067274 128.2
[M+NH4]+ 157.108373 146.0
[M+K]+ 178.037708 135.3
[M+H-H2O]+ 122.071810 120.0
[M+HCOO]- 184.072751 150.5
[M+CH3COO]- 198.088401 176.0
[M+Na-2H]- 160.049216 134.7
[M]+ 139.07400142 127.2
[M]- 139.07509858 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

No literature data available for this compound.

Patent stripe

patents stripe