CID 45792605

[1-phenyl-3-(propan-2-yl)-1h-pyrazol-4-yl]methanamine

Structural Information

Molecular Formula
C13H17N3
SMILES
CC(C)C1=NN(C=C1CN)C2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c1-10(2)13-11(8-14)9-16(15-13)12-6-4-3-5-7-12/h3-7,9-10H,8,14H2,1-2H3
InChIKey
ALAMOTODCYKTBF-UHFFFAOYSA-N
Compound name
(1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.2
[M+Na]+ 238.13146 162.7
[M+NH4]+ 233.17606 158.3
[M+K]+ 254.10540 157.9
[M-H]- 214.13496 153.7
[M+Na-2H]- 236.11691 157.9
[M]+ 215.14169 152.9
[M]- 215.14279 152.9
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

patents stripe