CID 19755975

1h-benzotriazole, 5-(pentyloxy)-, sodium salt

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

CCCCCOC1=CC2=NNN=C2C=C1

InChI

InChI=1S/C11H15N3O/c1-2-3-4-7-15-9-5-6-10-11(8-9)13-14-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)

InChIKey

QOLSSJHPZVQWFE-UHFFFAOYSA-N

Compound name

5-pentoxy-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 205.1215 Da
Monoisotopic Mass: 2.8
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]+	206.12878	145.1
[M+Na]+	228.11072	154.6
[M-H]-	204.11422	144.4
[M+NH4]+	223.15532	162.5
[M+K]+	244.08466	150.6
[M+H-H2O]+	188.11876	136.9
[M+HCOO]-	250.11970	165.9
[M+CH3COO]-	264.13535	183.2
[M+Na-2H]-	226.09617	152.5
[M]+	205.12095	148.2
[M]-	205.12205	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe