CID 11309600

(4,5,6,7-tetrahydro-2h-indazol-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1CC2=C(CC1CN)C=NN2

InChI

InChI=1S/C8H13N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11)

InChIKey

WHACGQRDMGNJBO-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1H-indazol-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 151.11095 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]+	152.118226	131.8
[M+Na]+	174.100168	138.7
[M-H]-	150.103674	131.4
[M+NH4]+	169.144773	152.0
[M+K]+	190.074108	135.4
[M+H-H2O]+	134.108210	124.9
[M+HCOO]-	196.109151	150.8
[M+CH3COO]-	210.124801	143.9
[M+Na-2H]-	172.085616	137.4
[M]+	151.11040142	125.9
[M]-	151.11149858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe