CID 212912

1,3-propanediol, 2-ethyl-2-methyl-, allylcarbamate, carbamate

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CCC(C)(COC(=O)N)COC(=O)NCC=C
InChI
InChI=1S/C11H20N2O4/c1-4-6-13-10(15)17-8-11(3,5-2)7-16-9(12)14/h4H,1,5-8H2,2-3H3,(H2,12,14)(H,13,15)
InChIKey
UTEMPGAYVGUMJT-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylbutyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 157.7
[M+Na]+ 267.131518 162.0
[M-H]- 243.135024 156.9
[M+NH4]+ 262.176123 174.2
[M+K]+ 283.105458 161.6
[M+H-H2O]+ 227.139560 151.8
[M+HCOO]- 289.140501 179.3
[M+CH3COO]- 303.156151 196.9
[M+Na-2H]- 265.116966 160.0
[M]+ 244.14175142 159.8
[M]- 244.14284858 159.8
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.