CID 138991271

2309454-35-9

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC1(C(=O)O)N2N=CC=N2
InChI
InChI=1S/C6H7N3O2/c10-5(11)6(1-2-6)9-7-3-4-8-9/h3-4H,1-2H2,(H,10,11)
InChIKey
HOCPLCUGWRFUKT-UHFFFAOYSA-N
Compound name
1-(triazol-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 137.7
[M+Na]+ 176.04305 148.5
[M-H]- 152.04655 140.5
[M+NH4]+ 171.08765 152.6
[M+K]+ 192.01699 146.1
[M+H-H2O]+ 136.05109 130.7
[M+HCOO]- 198.05203 158.3
[M+CH3COO]- 212.06768 173.9
[M+Na-2H]- 174.02850 143.9
[M]+ 153.05328 139.8
[M]- 153.05438 139.8
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.