CID 586680

(3,5-diaminophenyl)methanol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=C(C=C(C=C1N)N)CO

InChI

InChI=1S/C7H10N2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,8-9H2

InChIKey

OHLQBRYVKXJYHZ-UHFFFAOYSA-N

Compound name

(3,5-diaminophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 989
Patents: 138.07932 Da
Monoisotopic Mass: -0.3
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]+	139.086596	126.8
[M+Na]+	161.068538	134.8
[M-H]-	137.072044	128.9
[M+NH4]+	156.113143	147.1
[M+K]+	177.042478	132.2
[M+H-H2O]+	121.076580	121.4
[M+HCOO]-	183.077521	151.5
[M+CH3COO]-	197.093171	175.6
[M+Na-2H]-	159.053986	132.5
[M]+	138.07877142	122.7
[M]-	138.07986858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe