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]+ 214.13388 148.4
[M+Na]+ 236.11582 159.3
[M-H]- 212.11932 156.4
[M+NH4]+ 231.16042 161.3
[M+K]+ 252.08976 153.7
[M+H-H2O]+ 196.12386 140.2
[M+HCOO]- 258.12480 172.4
[M+CH3COO]- 272.14045 161.2
[M+Na-2H]- 234.10127 152.1
[M]+ 213.12605 149.5
[M]- 213.12715 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.