CID 52988048

387845-13-8

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N(C)C1(CC1)CO

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11(4)10(7-12)5-6-10/h12H,5-7H2,1-4H3

InChIKey

DBGZEMOJZQXSNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 201.13649 Da
Monoisotopic Mass: 0.8
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]+	202.143766	145.9
[M+Na]+	224.125708	153.7
[M-H]-	200.129214	150.7
[M+NH4]+	219.170313	162.3
[M+K]+	240.099648	153.7
[M+H-H2O]+	184.133750	141.8
[M+HCOO]-	246.134691	166.9
[M+CH3COO]-	260.150341	190.1
[M+Na-2H]-	222.111156	151.4
[M]+	201.13594142	151.3
[M]-	201.13703858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe