CID 58520756

1154759-77-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

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

InChI

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

InChIKey

PFZWFXYKBKYXJT-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyclopropyl-3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 213.13649 Da
Monoisotopic Mass: 1.2
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]+	214.143766	149.2
[M+Na]+	236.125708	156.2
[M-H]-	212.129214	153.5
[M+NH4]+	231.170313	163.1
[M+K]+	252.099648	154.4
[M+H-H2O]+	196.133750	143.4
[M+HCOO]-	258.134691	170.4
[M+CH3COO]-	272.150341	192.5
[M+Na-2H]-	234.111156	153.0
[M]+	213.13594142	153.8
[M]-	213.13703858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe