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]+ 206.13869 148.6
[M+Na]+ 228.12063 153.0
[M-H]- 204.12413 146.0
[M+NH4]+ 223.16523 166.0
[M+K]+ 244.09457 153.4
[M+H-H2O]+ 188.12867 144.0
[M+HCOO]- 250.12961 166.1
[M+CH3COO]- 264.14526 184.1
[M+Na-2H]- 226.10608 150.3
[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

patents stripe