CID 135409353

362512-40-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CC(CN1C2=C(C=CC(=C2)O)C=N1)N

InChI

InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3

InChIKey

WBYHTZYHAFNBKW-UHFFFAOYSA-N

Compound name

1-(2-aminopropyl)indazol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 95
Patents: 191.10587 Da
Monoisotopic Mass: 1.2
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]+	192.11315	140.6
[M+Na]+	214.09509	150.2
[M-H]-	190.09859	141.6
[M+NH4]+	209.13969	159.6
[M+K]+	230.06903	146.7
[M+H-H2O]+	174.10313	133.6
[M+HCOO]-	236.10407	162.5
[M+CH3COO]-	250.11972	183.7
[M+Na-2H]-	212.08054	146.2
[M]+	191.10532	140.9
[M]-	191.10642	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe