CID 64259888

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9ClN4O3
SMILES
COC1=NC(=NC(=N1)N2CC(C2)C(=O)O)Cl
InChI
InChI=1S/C8H9ClN4O3/c1-16-8-11-6(9)10-7(12-8)13-2-4(3-13)5(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKey
UACMXTXXOSCMNW-UHFFFAOYSA-N
Compound name
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03632 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04360 145.8
[M+Na]+ 267.02554 154.6
[M-H]- 243.02904 145.8
[M+NH4]+ 262.07014 151.8
[M+K]+ 282.99948 154.3
[M+H-H2O]+ 227.03358 132.0
[M+HCOO]- 289.03452 157.3
[M+CH3COO]- 303.05017 191.8
[M+Na-2H]- 265.01099 149.9
[M]+ 244.03577 156.8
[M]- 244.03687 156.8
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.