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]+ 233.149576 155.0
[M+Na]+ 255.131518 159.0
[M-H]- 231.135024 154.6
[M+NH4]+ 250.176123 172.3
[M+K]+ 271.105458 159.4
[M+H-H2O]+ 215.139560 148.3
[M+HCOO]- 277.140501 178.9
[M+CH3COO]- 291.156151 194.4
[M+Na-2H]- 253.116966 157.9
[M]+ 232.14175142 158.8
[M]- 232.14284858 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.