CID 131126565

1935399-67-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1=CCOCC1

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-8-9-4-6-14-7-5-9/h4H,5-8H2,1-3H3,(H,12,13)

InChIKey

HGHFUQGTVIEZCW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3,6-dihydro-2H-pyran-4-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.13649 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]+	214.143766	149.6
[M+Na]+	236.125708	153.9
[M-H]-	212.129214	153.2
[M+NH4]+	231.170313	166.7
[M+K]+	252.099648	154.7
[M+H-H2O]+	196.133750	143.6
[M+HCOO]-	258.134691	169.1
[M+CH3COO]-	272.150341	187.3
[M+Na-2H]-	234.111156	155.7
[M]+	213.13594142	149.6
[M]-	213.13703858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe