CID 6484139

2-(1-phenyl-1h-pyrazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)CCN
InChI
InChI=1S/C11H13N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7,12H2
InChIKey
XCVXHLSNYSXXEO-UHFFFAOYSA-N
Compound name
2-(1-phenylpyrazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

187.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.0
[M+Na]+ 210.10017 148.0
[M-H]- 186.10367 143.7
[M+NH4]+ 205.14477 158.2
[M+K]+ 226.07411 144.3
[M+H-H2O]+ 170.10821 131.5
[M+HCOO]- 232.10915 164.0
[M+CH3COO]- 246.12480 152.9
[M+Na-2H]- 208.08562 145.9
[M]+ 187.11040 138.6
[M]- 187.11150 138.6
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