CID 96318

Bacimethrin

Structural Information

Molecular Formula
C6H9N3O2
SMILES
COC1=NC=C(C(=N1)N)CO
InChI
InChI=1S/C6H9N3O2/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
InChIKey
ZPNHGSNYBLXGOL-UHFFFAOYSA-N
Compound name
(4-amino-2-methoxypyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

39
Patents

155.06947 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.5
[M+Na]+ 178.05869 139.8
[M-H]- 154.06219 130.4
[M+NH4]+ 173.10329 148.1
[M+K]+ 194.03263 138.0
[M+H-H2O]+ 138.06673 123.6
[M+HCOO]- 200.06767 152.8
[M+CH3COO]- 214.08332 175.6
[M+Na-2H]- 176.04414 137.7
[M]+ 155.06892 130.4
[M]- 155.07002 130.4
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