CID 66168502

Tert-butyl n-(2,3-dihydroxy-2-methylpropyl)carbamate

Structural Information

Molecular Formula
C9H19NO4
SMILES
CC(C)(C)OC(=O)NCC(C)(CO)O
InChI
InChI=1S/C9H19NO4/c1-8(2,3)14-7(12)10-5-9(4,13)6-11/h11,13H,5-6H2,1-4H3,(H,10,12)
InChIKey
AUEMRKAOFFIHFN-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,3-dihydroxy-2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.13141 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13869 147.8
[M+Na]+ 228.12063 153.0
[M-H]- 204.12413 145.3
[M+NH4]+ 223.16523 165.4
[M+K]+ 244.09457 152.9
[M+H-H2O]+ 188.12867 143.7
[M+HCOO]- 250.12961 165.7
[M+CH3COO]- 264.14526 182.7
[M+Na-2H]- 226.10608 153.1
[M]+ 205.13086 148.7
[M]- 205.13196 148.7
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.