CID 362879

Nsc627351

Structural Information

Molecular Formula

C₁₄H₂₉NO₂

SMILES

CCCCCCCCCCOC(=O)NCCC

InChI

InChI=1S/C14H29NO2/c1-3-5-6-7-8-9-10-11-13-17-14(16)15-12-4-2/h3-13H2,1-2H3,(H,15,16)

InChIKey

DUDFKUCDLHRTOQ-UHFFFAOYSA-N

Compound name

decyl N-propylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.21983 Da
Monoisotopic Mass: 5.3
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]+	244.22711	165.1
[M+Na]+	266.20905	168.3
[M-H]-	242.21255	164.0
[M+NH4]+	261.25365	182.5
[M+K]+	282.18299	166.7
[M+H-H2O]+	226.21709	158.6
[M+HCOO]-	288.21803	187.0
[M+CH3COO]-	302.23368	198.7
[M+Na-2H]-	264.19450	166.8
[M]+	243.21928	170.0
[M]-	243.22038	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe