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 150.3
[M+Na]+ 246.08491 158.2
[M+NH4]+ 241.12951 154.8
[M+K]+ 262.05885 157.2
[M-H]- 222.08841 148.3
[M+Na-2H]- 244.07036 152.6
[M]+ 223.09514 150.2
[M]- 223.09624 150.2
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

No patent data available for this compound.