CID 22408693

167081-41-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1CC(C1)O

InChI

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

InChIKey

PXNMQSMWUFXYNE-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-hydroxycyclobutyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
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	151.0
[M+Na]+	224.12571	153.9
[M+NH4]+	219.17031	153.1
[M+K]+	240.09965	152.5
[M-H]-	200.12921	147.3
[M+Na-2H]-	222.11116	150.3
[M]+	201.13594	148.8
[M]-	201.13704	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe