CID 62687328

2253632-44-7

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC1=C(C=NN1CCN(C)C)C(=O)O
InChI
InChI=1S/C9H15N3O2/c1-7-8(9(13)14)6-10-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3,(H,13,14)
InChIKey
BJRJXUNSSZANNS-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 144.2
[M+Na]+ 220.10564 153.4
[M+NH4]+ 215.15024 150.2
[M+K]+ 236.07958 151.6
[M-H]- 196.10914 143.5
[M+Na-2H]- 218.09109 147.5
[M]+ 197.11587 144.9
[M]- 197.11697 144.9
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.