CID 3489296

15755-12-1

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=CC(=NC(=N1)NC(=O)C)C
InChI
InChI=1S/C8H11N3O/c1-5-4-6(2)10-8(9-5)11-7(3)12/h4H,1-3H3,(H,9,10,11,12)
InChIKey
MQNFNEJOMMYIOX-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

165.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.8
[M+Na]+ 188.07943 143.9
[M-H]- 164.08293 136.4
[M+NH4]+ 183.12403 153.0
[M+K]+ 204.05337 142.2
[M+H-H2O]+ 148.08747 127.7
[M+HCOO]- 210.08841 157.6
[M+CH3COO]- 224.10406 182.1
[M+Na-2H]- 186.06488 141.3
[M]+ 165.08966 135.4
[M]- 165.09076 135.4
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