CID 16640547

1-[4-(3,5-dimethyl-1h-pyrazol-1-yl)phenyl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=CC(=NN1C2=CC=C(C=C2)C(C)N)C
InChI
InChI=1S/C13H17N3/c1-9-8-10(2)16(15-9)13-6-4-12(5-7-13)11(3)14/h4-8,11H,14H2,1-3H3
InChIKey
ZNGYUSHPBQKISP-UHFFFAOYSA-N
Compound name
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.1
[M+Na]+ 238.131458 158.9
[M-H]- 214.134964 154.5
[M+NH4]+ 233.176063 167.8
[M+K]+ 254.105398 155.1
[M+H-H2O]+ 198.139500 142.0
[M+HCOO]- 260.140441 172.5
[M+CH3COO]- 274.156091 192.7
[M+Na-2H]- 236.116906 152.2
[M]+ 215.14169142 149.6
[M]- 215.14278858 149.6
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.