CID 19616648

1006334-17-3

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN1C(=CC=N1)CN(C)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C10H13N3O3/c1-12(9(14)3-4-10(15)16)7-8-5-6-11-13(8)2/h3-6H,7H2,1-2H3,(H,15,16)/b4-3+
InChIKey
FGRMYSRSCBQWAC-ONEGZZNKSA-N
Compound name
(E)-4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.5
[M+Na]+ 246.08491 156.4
[M-H]- 222.08841 150.7
[M+NH4]+ 241.12951 166.4
[M+K]+ 262.05885 155.5
[M+H-H2O]+ 206.09295 141.9
[M+HCOO]- 268.09389 171.2
[M+CH3COO]- 282.10954 190.5
[M+Na-2H]- 244.07036 151.0
[M]+ 223.09514 151.3
[M]- 223.09624 151.3
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.