CID 54123

2,2',2''-nitrilotriethanol tricarbamate

Structural Information

Molecular Formula
C9H18N4O6
SMILES
C(COC(=O)N)N(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C9H18N4O6/c10-7(14)17-4-1-13(2-5-18-8(11)15)3-6-19-9(12)16/h1-6H2,(H2,10,14)(H2,11,15)(H2,12,16)
InChIKey
YEWFTAMOZAOECX-UHFFFAOYSA-N
Compound name
2-[bis(2-carbamoyloxyethyl)amino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.12262 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12990 159.5
[M+Na]+ 301.11184 161.9
[M-H]- 277.11534 159.0
[M+NH4]+ 296.15644 173.4
[M+K]+ 317.08578 164.5
[M+H-H2O]+ 261.11988 151.2
[M+HCOO]- 323.12082 183.9
[M+CH3COO]- 337.13647 209.1
[M+Na-2H]- 299.09729 158.8
[M]+ 278.12207 160.9
[M]- 278.12317 160.9
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

patents stripe