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

7
Patents

215.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 150.0
[M+Na]+ 238.131458 157.8
[M-H]- 214.134964 154.0
[M+NH4]+ 233.176063 167.4
[M+K]+ 254.105398 154.1
[M+H-H2O]+ 198.139500 141.6
[M+HCOO]- 260.140441 172.4
[M+CH3COO]- 274.156091 191.6
[M+Na-2H]- 236.116906 152.9
[M]+ 215.14169142 149.1
[M]- 215.14278858 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

patents stripe