CID 121553620

2-(benzylamino)-2-(1-methyl-1h-pyrazol-5-yl)acetic acid dihydrochloride

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CN1C(=CC=N1)C(C(=O)O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H15N3O2/c1-16-11(7-8-15-16)12(13(17)18)14-9-10-5-3-2-4-6-10/h2-8,12,14H,9H2,1H3,(H,17,18)
InChIKey
KGVAHQVYPZAYGJ-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-(2-methylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.0
[M+Na]+ 268.10564 166.5
[M+NH4]+ 263.15024 162.3
[M+K]+ 284.07958 163.5
[M-H]- 244.10914 157.6
[M+Na-2H]- 266.09109 162.3
[M]+ 245.11587 157.6
[M]- 245.11697 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.