CID 21077911

155089-06-8

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N(CC=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO5/c1-11(2,3)17-9(15)13(7-8-14)10(16)18-12(4,5)6/h8H,7H2,1-6H3
InChIKey
LAQWORBIRNDHQO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

259.14197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 157.8
[M+Na]+ 282.13119 163.5
[M-H]- 258.13469 159.5
[M+NH4]+ 277.17579 175.5
[M+K]+ 298.10513 165.8
[M+H-H2O]+ 242.13923 153.1
[M+HCOO]- 304.14017 178.1
[M+CH3COO]- 318.15582 199.3
[M+Na-2H]- 280.11664 161.3
[M]+ 259.14142 164.4
[M]- 259.14252 164.4
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