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]+ 183.08765 138.0
[M+Na]+ 205.06959 145.3
[M-H]- 181.07309 139.0
[M+NH4]+ 200.11419 156.0
[M+K]+ 221.04353 144.3
[M+H-H2O]+ 165.07763 130.3
[M+HCOO]- 227.07857 161.6
[M+CH3COO]- 241.09422 184.5
[M+Na-2H]- 203.05504 141.5
[M]+ 182.07982 136.8
[M]- 182.08092 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.