CID 60860268

1384428-39-0

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC(C1=CC(=C(C=C1)OC)CN2C=CC=N2)N
InChI
InChI=1S/C13H17N3O/c1-10(14)11-4-5-13(17-2)12(8-11)9-16-7-3-6-15-16/h3-8,10H,9,14H2,1-2H3
InChIKey
FJEZKUSODUTIEB-UHFFFAOYSA-N
Compound name
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 153.1
[M+Na]+ 254.12638 160.7
[M-H]- 230.12988 157.1
[M+NH4]+ 249.17098 169.7
[M+K]+ 270.10032 157.6
[M+H-H2O]+ 214.13442 144.5
[M+HCOO]- 276.13536 175.7
[M+CH3COO]- 290.15101 193.6
[M+Na-2H]- 252.11183 156.0
[M]+ 231.13661 153.5
[M]- 231.13771 153.5
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.