CID 79626

5472-71-9

Structural Information

Molecular Formula

C₁₁H₁₄N₄O

SMILES

C1COCCN1CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C11H14N4O/c1-2-4-11-10(3-1)12-13-15(11)9-14-5-7-16-8-6-14/h1-4H,5-9H2

InChIKey

YZYQTUBWZGCDLR-UHFFFAOYSA-N

Compound name

4-(benzotriazol-1-ylmethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 218.11676 Da
Monoisotopic Mass: 1.0
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]+	219.12404	147.2
[M+Na]+	241.10598	155.5
[M-H]-	217.10948	149.5
[M+NH4]+	236.15058	161.2
[M+K]+	257.07992	152.8
[M+H-H2O]+	201.11402	136.9
[M+HCOO]-	263.11496	164.1
[M+CH3COO]-	277.13061	158.7
[M+Na-2H]-	239.09143	154.3
[M]+	218.11621	146.2
[M]-	218.11731	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe