CID 55262952

(2-methoxypyrimidin-4-yl)methanamine

Structural Information

Molecular Formula
C6H9N3O
SMILES
COC1=NC=CC(=N1)CN
InChI
InChI=1S/C6H9N3O/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4,7H2,1H3
InChIKey
WDGIZDYDCQXBDL-UHFFFAOYSA-N
Compound name
(2-methoxypyrimidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

139.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.8
[M+Na]+ 162.06377 135.6
[M-H]- 138.06727 127.6
[M+NH4]+ 157.10837 145.5
[M+K]+ 178.03771 134.2
[M+H-H2O]+ 122.07181 119.6
[M+HCOO]- 184.07275 150.4
[M+CH3COO]- 198.08840 174.9
[M+Na-2H]- 160.04922 135.3
[M]+ 139.07400 126.7
[M]- 139.07510 126.7
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