CID 89692933

1-(1h-1,2,4-triazol-1-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC1(C(=O)O)N2C=NC=N2
InChI
InChI=1S/C6H7N3O2/c10-5(11)6(1-2-6)9-4-7-3-8-9/h3-4H,1-2H2,(H,10,11)
InChIKey
YIHIZHJNIXDDSO-UHFFFAOYSA-N
Compound name
1-(1,2,4-triazol-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 136.4
[M+Na]+ 176.04305 148.4
[M+NH4]+ 171.08765 144.8
[M+K]+ 192.01699 145.5
[M-H]- 152.04655 142.9
[M+Na-2H]- 174.02850 145.5
[M]+ 153.05328 140.9
[M]- 153.05438 140.9
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