CID 84719374

[1-(1h-indazol-5-yl)propan-2-yl](methyl)amine dihydrochloride

Structural Information

Molecular Formula
C11H15N3
SMILES
CC(CC1=CC2=C(C=C1)NN=C2)NC
InChI
InChI=1S/C11H15N3/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11/h3-4,6-8,12H,5H2,1-2H3,(H,13,14)
InChIKey
SJBUOATYMRXERQ-UHFFFAOYSA-N
Compound name
1-(1H-indazol-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.133876 141.4
[M+Na]+ 212.115818 149.8
[M-H]- 188.119324 142.3
[M+NH4]+ 207.160423 160.6
[M+K]+ 228.089758 145.8
[M+H-H2O]+ 172.123860 134.1
[M+HCOO]- 234.124801 163.4
[M+CH3COO]- 248.140451 184.1
[M+Na-2H]- 210.101266 148.3
[M]+ 189.12605142 141.3
[M]- 189.12714858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.