CID 117508

1,3-propanediol, 2-pentyl-, dicarbamate

Structural Information

Molecular Formula
C10H20N2O4
SMILES
CCCCCC(COC(=O)N)COC(=O)N
InChI
InChI=1S/C10H20N2O4/c1-2-3-4-5-8(6-15-9(11)13)7-16-10(12)14/h8H,2-7H2,1H3,(H2,11,13)(H2,12,14)
InChIKey
JFBCNQQUKQOJPP-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)heptyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14958 155.0
[M+Na]+ 255.13152 159.7
[M+NH4]+ 250.17612 159.0
[M+K]+ 271.10546 157.5
[M-H]- 231.13502 152.2
[M+Na-2H]- 253.11697 154.2
[M]+ 232.14175 154.0
[M]- 232.14285 154.0
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.