CID 71758482

(1-amino-2-chloroethylidene)amino 2-methoxyacetate

Structural Information

Molecular Formula
C5H9ClN2O3
SMILES
COCC(=O)O/N=C(/CCl)\N
InChI
InChI=1S/C5H9ClN2O3/c1-10-3-5(9)11-8-4(7)2-6/h2-3H2,1H3,(H2,7,8)
InChIKey
XJWXGWDONQAUJS-UHFFFAOYSA-N
Compound name
[(Z)-(1-amino-2-chloroethylidene)amino] 2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03017 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03745 134.9
[M+Na]+ 203.01939 142.2
[M-H]- 179.02289 136.3
[M+NH4]+ 198.06399 155.5
[M+K]+ 218.99333 141.6
[M+H-H2O]+ 163.02743 130.3
[M+HCOO]- 225.02837 156.7
[M+CH3COO]- 239.04402 184.2
[M+Na-2H]- 201.00484 139.4
[M]+ 180.02962 138.4
[M]- 180.03072 138.4
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.