CID 93832262

1438897-37-0

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=NC=NN2
InChI
InChI=1S/C6H7N3O2/c10-6(11)4-1-3(4)5-7-2-8-9-5/h2-4H,1H2,(H,10,11)(H,7,8,9)/t3-,4-/m1/s1
InChIKey
XSEMHAHPSXESOA-QWWZWVQMSA-N
Compound name
(1R,2R)-2-(1H-1,2,4-triazol-5-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 134.9
[M+Na]+ 176.04305 146.4
[M+NH4]+ 171.08765 141.6
[M+K]+ 192.01699 145.8
[M-H]- 152.04655 140.8
[M+Na-2H]- 174.02850 141.8
[M]+ 153.05328 138.9
[M]- 153.05438 138.9
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

No patent data available for this compound.