CID 117497

1,3-propanediol, 2-propyl-, dicarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CCCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C8H16N2O4/c1-2-3-6(4-13-7(9)11)5-14-8(10)12/h6H,2-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKey
SDQUZFKATDFLLP-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)pentyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 146.7
[M+Na]+ 227.100228 151.2
[M-H]- 203.103734 145.6
[M+NH4]+ 222.144833 164.3
[M+K]+ 243.074168 151.9
[M+H-H2O]+ 187.108270 140.4
[M+HCOO]- 249.109211 169.0
[M+CH3COO]- 263.124861 189.4
[M+Na-2H]- 225.085676 147.2
[M]+ 204.11046142 147.2
[M]- 204.11155858 147.2
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