CID 66707724

1279821-50-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NC(CO)C1CC1

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-8(6-12)7-4-5-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)

InChIKey

FRRCSAZNGYCTLR-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyclopropyl-2-hydroxyethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 201.13649 Da
Monoisotopic Mass: 1.1
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]+	202.14377	144.9
[M+Na]+	224.12571	151.6
[M-H]-	200.12921	148.0
[M+NH4]+	219.17031	158.6
[M+K]+	240.09965	149.7
[M+H-H2O]+	184.13375	139.5
[M+HCOO]-	246.13469	164.9
[M+CH3COO]-	260.15034	188.1
[M+Na-2H]-	222.11116	148.8
[M]+	201.13594	148.0
[M]-	201.13704	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe