CID 18451686

98019-67-1

Structural Information

Molecular Formula
C4H5NO6
SMILES
C(=O)(C(C(=O)O)(C(=O)O)N)O
InChI
InChI=1S/C4H5NO6/c5-4(1(6)7,2(8)9)3(10)11/h5H2,(H,6,7)(H,8,9)(H,10,11)
InChIKey
NATWVKLDGZLUAI-UHFFFAOYSA-N
Compound name
aminomethanetricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

163.01169 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.018966 127.6
[M+Na]+ 186.000908 133.6
[M-H]- 162.004414 123.6
[M+NH4]+ 181.045513 144.9
[M+K]+ 201.974848 133.9
[M+H-H2O]+ 146.008950 123.4
[M+HCOO]- 208.009891 145.2
[M+CH3COO]- 222.025541 170.9
[M+Na-2H]- 183.986356 130.5
[M]+ 163.01114142 124.6
[M]- 163.01223858 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

literature stripe

Patent stripe

patents stripe