CID 4639790

132553-13-0

Structural Information

Molecular Formula

C₁₃H₁₈N₄O

SMILES

CCC(N1CCOCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H18N4O/c1-2-13(16-7-9-18-10-8-16)17-12-6-4-3-5-11(12)14-15-17/h3-6,13H,2,7-10H2,1H3

InChIKey

XKTFTRZSEZZRNG-UHFFFAOYSA-N

Compound name

4-[1-(benzotriazol-1-yl)propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.14806 Da
Monoisotopic Mass: 1.7
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]+	247.15534	156.2
[M+Na]+	269.13728	169.5
[M+NH4]+	264.18188	163.7
[M+K]+	285.11122	165.1
[M-H]-	245.14078	159.4
[M+Na-2H]-	267.12273	162.4
[M]+	246.14751	158.9
[M]-	246.14861	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe