CID 15287812

183793-49-9

Structural Information

Molecular Formula

C₉H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N[C@H](CO)COC

InChI

InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1

InChIKey

CMWJWKLWQJMPMM-SSDOTTSWSA-N

Compound name

tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 205.13141 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.13869	148.1
[M+Na]+	228.12063	153.2
[M-H]-	204.12413	146.9
[M+NH4]+	223.16523	166.4
[M+K]+	244.09457	154.0
[M+H-H2O]+	188.12867	143.2
[M+HCOO]-	250.12961	168.1
[M+CH3COO]-	264.14526	185.6
[M+Na-2H]-	226.10608	151.7
[M]+	205.13086	150.9
[M]-	205.13196	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe