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 148.0
[M+Na]+ 236.11582 158.0
[M-H]- 212.11932 155.5
[M+NH4]+ 231.16042 160.6
[M+K]+ 252.08976 152.5
[M+H-H2O]+ 196.12386 139.5
[M+HCOO]- 258.12480 172.0
[M+CH3COO]- 272.14045 160.4
[M+Na-2H]- 234.10127 152.3
[M]+ 213.12605 148.6
[M]- 213.12715 148.6
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.