CID 141718044

2120399-28-0

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N(C)CC1(CC1)CO

InChI

InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(4)7-11(8-13)5-6-11/h13H,5-8H2,1-4H3

InChIKey

IZURJIKPWJAKRH-UHFFFAOYSA-N

Compound name

tert-butyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 215.15215 Da
Monoisotopic Mass: 1.0
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]+	216.159426	150.2
[M+Na]+	238.141368	157.5
[M-H]-	214.144874	154.8
[M+NH4]+	233.185973	166.0
[M+K]+	254.115308	157.3
[M+H-H2O]+	198.149410	145.9
[M+HCOO]-	260.150351	170.8
[M+CH3COO]-	274.166001	193.0
[M+Na-2H]-	236.126816	155.2
[M]+	215.15160142	155.9
[M]-	215.15269858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe