CID 117232

1,3-propanediol, 2-ethyl-, carbamate, propylcarbamate

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CCCNC(=O)OCC(CC)COC(=O)N
InChI
InChI=1S/C10H20N2O4/c1-3-5-12-10(14)16-7-8(4-2)6-15-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)
InChIKey
TUQLBASXUYTTNN-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl 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 155.8
[M+Na]+ 255.131518 159.5
[M-H]- 231.135024 155.0
[M+NH4]+ 250.176123 172.7
[M+K]+ 271.105458 160.1
[M+H-H2O]+ 215.139560 149.2
[M+HCOO]- 277.140501 178.1
[M+CH3COO]- 291.156151 195.4
[M+Na-2H]- 253.116966 156.4
[M]+ 232.14175142 158.1
[M]- 232.14284858 158.1
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.