CID 13582270

106157-82-8

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC(=O)C1=NC(=NC=C1)N
InChI
InChI=1S/C6H7N3O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3,(H2,7,8,9)
InChIKey
XDKSEDDZHXZRKQ-UHFFFAOYSA-N
Compound name
1-(2-aminopyrimidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

137.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 126.0
[M+Na]+ 160.048128 134.9
[M-H]- 136.051634 127.0
[M+NH4]+ 155.092733 144.6
[M+K]+ 176.022068 133.4
[M+H-H2O]+ 120.056170 119.0
[M+HCOO]- 182.057111 148.8
[M+CH3COO]- 196.072761 174.9
[M+Na-2H]- 158.033576 133.3
[M]+ 137.05836142 124.6
[M]- 137.05945858 124.6
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