CID 117222

25385-21-1

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCCC(CC)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=1S/C13H26N2O4/c1-5-7-13(6-2,8-18-11(14)16)9-19-12(17)15-10(3)4/h10H,5-9H2,1-4H3,(H2,14,16)(H,15,17)
InChIKey
PLZUGJMGQQVNND-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylpentyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.6
[M+Na]+ 297.178488 171.5
[M-H]- 273.181994 167.5
[M+NH4]+ 292.223093 183.9
[M+K]+ 313.152428 171.9
[M+H-H2O]+ 257.186530 162.3
[M+HCOO]- 319.187471 188.3
[M+CH3COO]- 333.203121 204.7
[M+Na-2H]- 295.163936 168.6
[M]+ 274.18872142 171.5
[M]- 274.18981858 171.5
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.