CID 164574198

2297582-28-4

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N(C)C1CC(C1)C=O

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12(4)9-5-8(6-9)7-13/h7-9H,5-6H2,1-4H3

InChIKey

VMPGMJJNUIFZIQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-formylcyclobutyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 213.13649 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]+	214.14377	150.1
[M+Na]+	236.12571	154.2
[M-H]-	212.12921	154.7
[M+NH4]+	231.17031	162.8
[M+K]+	252.09965	158.3
[M+H-H2O]+	196.13375	139.2
[M+HCOO]-	258.13469	170.4
[M+CH3COO]-	272.15034	196.1
[M+Na-2H]-	234.11116	152.4
[M]+	213.13594	161.1
[M]-	213.13704	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe