CID 12694600

1749-72-0

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=NC=C(C(=O)N1)CN
InChI
InChI=1S/C6H9N3O/c1-4-8-3-5(2-7)6(10)9-4/h3H,2,7H2,1H3,(H,8,9,10)
InChIKey
PSTACWJBJZYESW-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.07455 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.0
[M+Na]+ 162.06377 136.7
[M-H]- 138.06727 126.9
[M+NH4]+ 157.10837 145.3
[M+K]+ 178.03771 133.7
[M+H-H2O]+ 122.07181 120.4
[M+HCOO]- 184.07275 149.2
[M+CH3COO]- 198.08840 172.7
[M+Na-2H]- 160.04922 134.2
[M]+ 139.07400 124.7
[M]- 139.07510 124.7
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

No patent data available for this compound.