CID 11593669

391200-37-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

205.13141 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.138686 147.8
[M+Na]+ 228.120628 153.0
[M-H]- 204.124134 145.3
[M+NH4]+ 223.165233 165.4
[M+K]+ 244.094568 152.9
[M+H-H2O]+ 188.128670 143.7
[M+HCOO]- 250.129611 165.7
[M+CH3COO]- 264.145261 182.7
[M+Na-2H]- 226.106076 153.1
[M]+ 205.13086142 148.7
[M]- 205.13195858 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

literature stripe

Patent stripe

patents stripe