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]+ 216.14952 149.4
[M+Na]+ 238.13146 157.5
[M-H]- 214.13496 153.3
[M+NH4]+ 233.17606 166.9
[M+K]+ 254.10540 153.3
[M+H-H2O]+ 198.13950 140.9
[M+HCOO]- 260.14044 172.8
[M+CH3COO]- 274.15609 190.7
[M+Na-2H]- 236.11691 153.5
[M]+ 215.14169 149.1
[M]- 215.14279 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.