CID 39869650

3-(3-methyl-1-phenyl-1h-pyrazol-4-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=NN(C=C1CCCN)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c1-11-12(6-5-9-14)10-16(15-11)13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9,14H2,1H3
InChIKey
MEQSXUXURIRFNS-UHFFFAOYSA-N
Compound name
3-(3-methyl-1-phenylpyrazol-4-yl)propan-1-amine
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 149.4
[M+Na]+ 238.131458 157.5
[M-H]- 214.134964 153.3
[M+NH4]+ 233.176063 166.9
[M+K]+ 254.105398 153.3
[M+H-H2O]+ 198.139500 140.9
[M+HCOO]- 260.140441 172.8
[M+CH3COO]- 274.156091 190.7
[M+Na-2H]- 236.116906 153.5
[M]+ 215.14169142 149.1
[M]- 215.14278858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.