CID 113929

Brn 3056050

Structural Information

Molecular Formula
C13H27N3O4
SMILES
CCCCC(C)(COC(=O)N)COC(=O)NNC(C)C
InChI
InChI=1S/C13H27N3O4/c1-5-6-7-13(4,8-19-11(14)17)9-20-12(18)16-15-10(2)3/h10,15H,5-9H2,1-4H3,(H2,14,17)(H,16,18)
InChIKey
WDBNXBYLAMPADA-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylhexyl] N-(propan-2-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.20016 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.20744 171.6
[M+Na]+ 312.18938 173.5
[M-H]- 288.19288 170.4
[M+NH4]+ 307.23398 185.9
[M+K]+ 328.16332 174.1
[M+H-H2O]+ 272.19742 164.7
[M+HCOO]- 334.19836 192.3
[M+CH3COO]- 348.21401 210.0
[M+Na-2H]- 310.17483 172.0
[M]+ 289.19961 173.6
[M]- 289.20071 173.6
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.