CID 4321832

10-{[(tert-butoxy)carbonyl]amino}decanoic acid

Structural Information

Molecular Formula

C₁₅H₂₉NO₄

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCC(=O)O

InChI

InChI=1S/C15H29NO4/c1-15(2,3)20-14(19)16-12-10-8-6-4-5-7-9-11-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

DUNPXMOBBKBKHK-UHFFFAOYSA-N

Compound name

10-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 287.20966 Da
Monoisotopic Mass: 3.7
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]+	288.216936	174.1
[M+Na]+	310.198878	176.9
[M-H]-	286.202384	171.7
[M+NH4]+	305.243483	188.9
[M+K]+	326.172818	175.6
[M+H-H2O]+	270.206920	168.1
[M+HCOO]-	332.207861	192.3
[M+CH3COO]-	346.223511	202.7
[M+Na-2H]-	308.184326	174.6
[M]+	287.20911142	178.4
[M]-	287.21020858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe