CID 19625006

[(2-methoxyphenyl)methyl][(1-methyl-1h-pyrazol-5-yl)methyl]amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1C(=CC=N1)CNCC2=CC=CC=C2OC
InChI
InChI=1S/C13H17N3O/c1-16-12(7-8-15-16)10-14-9-11-5-3-4-6-13(11)17-2/h3-8,14H,9-10H2,1-2H3
InChIKey
LUCVAZRNIBQRNQ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
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 152.1
[M+Na]+ 254.12638 160.0
[M-H]- 230.12988 156.4
[M+NH4]+ 249.17098 169.0
[M+K]+ 270.10032 156.7
[M+H-H2O]+ 214.13442 143.3
[M+HCOO]- 276.13536 176.3
[M+CH3COO]- 290.15101 193.4
[M+Na-2H]- 252.11183 157.2
[M]+ 231.13661 154.1
[M]- 231.13771 154.1
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

No patent data available for this compound.