CID 117966299

1469286-20-1

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1CC1(C(=O)O)N2C=C(C=N2)C#N
InChI
InChI=1S/C8H7N3O2/c9-3-6-4-10-11(5-6)8(1-2-8)7(12)13/h4-5H,1-2H2,(H,12,13)
InChIKey
BEPPXAFWDQYQAE-UHFFFAOYSA-N
Compound name
1-(4-cyanopyrazol-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 136.8
[M+Na]+ 200.04305 153.1
[M-H]- 176.04655 141.7
[M+NH4]+ 195.08765 152.2
[M+K]+ 216.01699 146.5
[M+H-H2O]+ 160.05109 126.4
[M+HCOO]- 222.05203 156.1
[M+CH3COO]- 236.06768 191.3
[M+Na-2H]- 198.02850 143.2
[M]+ 177.05328 136.0
[M]- 177.05438 136.0
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