CID 16122634

2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=C(C=NN1)C2=CC=C(C=C2)CCN
InChI
InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKey
ILTOXASLQDKYJW-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

201.1266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.3
[M+Na]+ 224.11582 153.4
[M-H]- 200.11932 147.9
[M+NH4]+ 219.16042 162.6
[M+K]+ 240.08976 148.5
[M+H-H2O]+ 184.12386 137.2
[M+HCOO]- 246.12480 167.5
[M+CH3COO]- 260.14045 157.5
[M+Na-2H]- 222.10127 149.5
[M]+ 201.12605 142.8
[M]- 201.12715 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe