CID 139026690

2141197-35-3

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CC1N2C(=CC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C12H13N3/c13-12-8-11(9-4-2-1-3-5-9)14-15(12)10-6-7-10/h1-5,8,10H,6-7,13H2
InChIKey
LFUNETDWDOQMRY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 143.8
[M+Na]+ 222.100168 154.3
[M-H]- 198.103674 151.6
[M+NH4]+ 217.144773 157.0
[M+K]+ 238.074108 149.0
[M+H-H2O]+ 182.108210 135.5
[M+HCOO]- 244.109151 168.1
[M+CH3COO]- 258.124801 156.7
[M+Na-2H]- 220.085616 148.7
[M]+ 199.11040142 144.2
[M]- 199.11149858 144.2
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.