CID 138012130

2241129-07-5

Structural Information

Molecular Formula
C7H10N4O2
SMILES
COC(=O)C1=CN(N=C1)CC(=N)N
InChI
InChI=1S/C7H10N4O2/c1-13-7(12)5-2-10-11(3-5)4-6(8)9/h2-3H,4H2,1H3,(H3,8,9)
InChIKey
ZXAUBBZXBDINLB-UHFFFAOYSA-N
Compound name
methyl 1-(2-amino-2-iminoethyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08037 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.087646 138.0
[M+Na]+ 205.069588 145.3
[M-H]- 181.073094 139.0
[M+NH4]+ 200.114193 156.0
[M+K]+ 221.043528 144.3
[M+H-H2O]+ 165.077630 130.3
[M+HCOO]- 227.078571 161.6
[M+CH3COO]- 241.094221 184.5
[M+Na-2H]- 203.055036 141.5
[M]+ 182.07982142 136.8
[M]- 182.08091858 136.8
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.