CID 13827790

80584-88-9

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

CC1=CC2=C(C=C1)N(N=N2)CN(CCO)CCO

InChI

InChI=1S/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3

InChIKey

HHYPDQBCLQZKLI-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 502
Patents: 250.14297 Da
Monoisotopic Mass: 0.2
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]+	251.150246	156.5
[M+Na]+	273.132188	165.0
[M-H]-	249.135694	156.2
[M+NH4]+	268.176793	171.8
[M+K]+	289.106128	161.8
[M+H-H2O]+	233.140230	148.0
[M+HCOO]-	295.141171	177.1
[M+CH3COO]-	309.156821	195.2
[M+Na-2H]-	271.117636	162.1
[M]+	250.14242142	160.4
[M]-	250.14351858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe