CID 93260645

Rac-3-[(1r,2r)-2-methylcyclopropyl]-1-phenyl-1h-pyrazol-5-amine

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
3-[(1R,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-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]+ 214.133876 148.4
[M+Na]+ 236.115818 159.3
[M-H]- 212.119324 156.4
[M+NH4]+ 231.160423 161.3
[M+K]+ 252.089758 153.7
[M+H-H2O]+ 196.123860 140.2
[M+HCOO]- 258.124801 172.4
[M+CH3COO]- 272.140451 161.2
[M+Na-2H]- 234.101266 152.1
[M]+ 213.12605142 149.5
[M]- 213.12714858 149.5
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.