CID 90609

Pentaerythritol tetracarbamate

Structural Information

Molecular Formula
C9H16N4O8
SMILES
C(C(COC(=O)N)(COC(=O)N)COC(=O)N)OC(=O)N
InChI
InChI=1S/C9H16N4O8/c10-5(14)18-1-9(2-19-6(11)15,3-20-7(12)16)4-21-8(13)17/h1-4H2,(H2,10,14)(H2,11,15)(H2,12,16)(H2,13,17)
InChIKey
VNHRHKFZZHJVBI-UHFFFAOYSA-N
Compound name
[3-carbamoyloxy-2,2-bis(carbamoyloxymethyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

308.0968 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10408 160.4
[M+Na]+ 331.08602 162.7
[M-H]- 307.08952 158.2
[M+NH4]+ 326.13062 167.7
[M+K]+ 347.05996 165.6
[M+H-H2O]+ 291.09406 152.7
[M+HCOO]- 353.09500 168.5
[M+CH3COO]- 367.11065 210.2
[M+Na-2H]- 329.07147 159.9
[M]+ 308.09625 160.4
[M]- 308.09735 160.4
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

patents stripe