CID 43565333

1909318-81-5

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN(C)CCN1C=C(C=N1)C(=O)O
InChI
InChI=1S/C8H13N3O2/c1-10(2)3-4-11-6-7(5-9-11)8(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKey
GICHVWFADSCFIL-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.10077 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 139.4
[M+Na]+ 206.089988 146.8
[M-H]- 182.093494 140.7
[M+NH4]+ 201.134593 158.1
[M+K]+ 222.063928 146.5
[M+H-H2O]+ 166.098030 132.0
[M+HCOO]- 228.098971 162.1
[M+CH3COO]- 242.114621 184.6
[M+Na-2H]- 204.075436 143.0
[M]+ 183.10022142 141.2
[M]- 183.10131858 141.2
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

patents stripe