CID 56219

Ethyl (3-hydroxypropyl)carbamate propylcarbamate

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CCCNC(=O)OCCCNC(=O)OCC
InChI
InChI=1S/C10H20N2O4/c1-3-6-11-10(14)16-8-5-7-12-9(13)15-4-2/h3-8H2,1-2H3,(H,11,14)(H,12,13)
InChIKey
YOJCECGCIAICJL-UHFFFAOYSA-N
Compound name
3-(ethoxycarbonylamino)propyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 155.0
[M+Na]+ 255.13152 159.0
[M-H]- 231.13502 154.6
[M+NH4]+ 250.17612 172.3
[M+K]+ 271.10546 159.4
[M+H-H2O]+ 215.13956 148.3
[M+HCOO]- 277.14050 178.9
[M+CH3COO]- 291.15615 194.4
[M+Na-2H]- 253.11697 157.9
[M]+ 232.14175 158.8
[M]- 232.14285 158.8
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.