CID 44942

Mc 3024

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CCC(CC)(CNC(=O)OCC)CNC(=O)OCC
InChI
InChI=1S/C13H26N2O4/c1-5-13(6-2,9-14-11(16)18-7-3)10-15-12(17)19-8-4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKey
JOFVJGBNXDXSEO-UHFFFAOYSA-N
Compound name
ethyl N-[2-[(ethoxycarbonylamino)methyl]-2-ethylbutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 168.3
[M+Na]+ 297.17849 171.5
[M-H]- 273.18199 167.7
[M+NH4]+ 292.22309 184.1
[M+K]+ 313.15243 171.7
[M+H-H2O]+ 257.18653 161.9
[M+HCOO]- 319.18747 189.7
[M+CH3COO]- 333.20312 203.7
[M+Na-2H]- 295.16394 170.6
[M]+ 274.18872 172.8
[M]- 274.18982 172.8
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

patents stripe