CID 71756562

1-(3-methyl-1-phenyl-1h-pyrazol-5-yl)propan-2-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=NN(C(=C1)CC(C)N)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c1-10(14)8-13-9-11(2)15-16(13)12-6-4-3-5-7-12/h3-7,9-10H,8,14H2,1-2H3
InChIKey
NTRLVKNGJYRHQI-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.0
[M+Na]+ 238.13146 157.8
[M-H]- 214.13496 154.0
[M+NH4]+ 233.17606 167.4
[M+K]+ 254.10540 154.1
[M+H-H2O]+ 198.13950 141.6
[M+HCOO]- 260.14044 172.4
[M+CH3COO]- 274.15609 191.6
[M+Na-2H]- 236.11691 152.9
[M]+ 215.14169 149.1
[M]- 215.14279 149.1
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.