CID 63961177

1-[4-(1-methyl-1h-pyrazol-5-yl)phenyl]methanamine dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
CN1C(=CC=N1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H13N3/c1-14-11(6-7-13-14)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3
InChIKey
DAJPQXIHISNGPV-UHFFFAOYSA-N
Compound name
[4-(2-methylpyrazol-3-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.3
[M+Na]+ 210.100168 149.3
[M-H]- 186.103674 144.5
[M+NH4]+ 205.144773 158.9
[M+K]+ 226.074108 145.6
[M+H-H2O]+ 170.108210 132.2
[M+HCOO]- 232.109151 164.4
[M+CH3COO]- 246.124801 153.7
[M+Na-2H]- 208.085616 145.5
[M]+ 187.11040142 139.3
[M]- 187.11149858 139.3
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.