CID 3060474

1,5-pentanediol, dicarbamate

Structural Information

Molecular Formula
C7H14N2O4
SMILES
C(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C7H14N2O4/c8-6(10)12-4-2-1-3-5-13-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
InChIKey
NEMGHZMONCORDC-UHFFFAOYSA-N
Compound name
5-carbamoyloxypentyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

190.09535 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.102626 141.3
[M+Na]+ 213.084568 146.4
[M-H]- 189.088074 140.3
[M+NH4]+ 208.129173 159.5
[M+K]+ 229.058508 146.8
[M+H-H2O]+ 173.092610 135.1
[M+HCOO]- 235.093551 164.9
[M+CH3COO]- 249.109201 185.5
[M+Na-2H]- 211.070016 143.6
[M]+ 190.09480142 142.1
[M]- 190.09589858 142.1
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

patents stripe