CID 66767

95-37-4

Structural Information

Molecular Formula

C₁₆H₃₃N₃

SMILES

CCCCCCCCCCCC1=NCCN1CCN

InChI

InChI=1S/C16H33N3/c1-2-3-4-5-6-7-8-9-10-11-16-18-13-15-19(16)14-12-17/h2-15,17H2,1H3

InChIKey

UKRULNKPQHXSQF-UHFFFAOYSA-N

Compound name

2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 267.26746 Da
Monoisotopic Mass: 3.6
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]+	268.27474	171.5
[M+Na]+	290.25668	174.8
[M-H]-	266.26018	170.0
[M+NH4]+	285.30128	186.7
[M+K]+	306.23062	171.1
[M+H-H2O]+	250.26472	162.4
[M+HCOO]-	312.26566	190.7
[M+CH3COO]-	326.28131	203.5
[M+Na-2H]-	288.24213	171.2
[M]+	267.26691	172.8
[M]-	267.26801	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe