CID 93260645

2059917-84-7

Structural Information

Molecular Formula
C13H15N3
SMILES
C[C@@H]1C[C@H]1C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3/c1-9-7-11(9)12-8-13(14)16(15-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7,14H2,1H3/t9-,11-/m1/s1
InChIKey
ZWVAZCFZYJSBEE-MWLCHTKSSA-N
Compound name
5-[(1R,2R)-2-methylcyclopropyl]-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 150.0
[M+Na]+ 236.11582 164.8
[M+NH4]+ 231.16042 159.2
[M+K]+ 252.08976 160.8
[M-H]- 212.11932 161.8
[M+Na-2H]- 234.10127 161.1
[M]+ 213.12605 156.5
[M]- 213.12715 156.5
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.