CID 14411875

Tert-butyl n-(1,3-dihydroxybutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H19NO4
SMILES
CC(C(CO)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H19NO4/c1-6(12)7(5-11)10-8(13)14-9(2,3)4/h6-7,11-12H,5H2,1-4H3,(H,10,13)
InChIKey
ZRYCVLSBSJEPCJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,3-dihydroxybutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.13141 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.138686 148.6
[M+Na]+ 228.120628 153.0
[M-H]- 204.124134 146.0
[M+NH4]+ 223.165233 166.0
[M+K]+ 244.094568 153.4
[M+H-H2O]+ 188.128670 144.0
[M+HCOO]- 250.129611 166.1
[M+CH3COO]- 264.145261 184.1
[M+Na-2H]- 226.106076 150.3
[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

No literature data available for this compound.

Patent stripe

patents stripe