CID 59424688

105983-83-3

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)NCCN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O4/c1-12(2,3)18-10(16)14-8-9-15(7)11(17)19-13(4,5)6/h8-9H2,1-7H3,(H,14,16)
InChIKey
LDEPHSIHMSDUAS-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

274.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 166.4
[M+Na]+ 297.17849 170.5
[M-H]- 273.18199 167.8
[M+NH4]+ 292.22309 183.2
[M+K]+ 313.15243 172.7
[M+H-H2O]+ 257.18653 160.9
[M+HCOO]- 319.18747 186.9
[M+CH3COO]- 333.20312 206.2
[M+Na-2H]- 295.16394 169.3
[M]+ 274.18872 171.6
[M]- 274.18982 171.6
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

patents stripe