CID 688251

96549-95-0

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O

InChI

InChI=1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2

InChIKey

CHKKZILXOJVMAD-UHFFFAOYSA-N

Compound name

2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 656
Patents: 255.10077 Da
Monoisotopic Mass: 3.5
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]+	256.108046	156.5
[M+Na]+	278.089988	167.2
[M-H]-	254.093494	158.6
[M+NH4]+	273.134593	171.1
[M+K]+	294.063928	161.3
[M+H-H2O]+	238.098030	147.8
[M+HCOO]-	300.098971	176.2
[M+CH3COO]-	314.114621	168.3
[M+Na-2H]-	276.075436	162.7
[M]+	255.10022142	158.4
[M]-	255.10131858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe