CID 61562363

3-(cyclopropylmethyl)-1-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CC1CC2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3/c14-13-9-11(8-10-6-7-10)15-16(13)12-4-2-1-3-5-12/h1-5,9-10H,6-8,14H2
InChIKey
LEEVXELHSQOZSN-UHFFFAOYSA-N
Compound name
5-(cyclopropylmethyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 150.2
[M+Na]+ 236.11582 164.7
[M+NH4]+ 231.16042 159.4
[M+K]+ 252.08976 160.5
[M-H]- 212.11932 162.0
[M+Na-2H]- 234.10127 161.6
[M]+ 213.12605 156.7
[M]- 213.12715 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.