CID 165838354

2227748-36-7

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CN1C(=CN=N1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C7H9N3O2/c1-10-6(3-8-9-10)4-2-5(4)7(11)12/h3-5H,2H2,1H3,(H,11,12)/t4-,5-/m1/s1
InChIKey
MUBPKJLISZASEY-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(3-methyltriazol-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 141.5
[M+Na]+ 190.05869 153.0
[M-H]- 166.06219 144.5
[M+NH4]+ 185.10329 154.5
[M+K]+ 206.03263 149.0
[M+H-H2O]+ 150.06673 133.8
[M+HCOO]- 212.06767 162.0
[M+CH3COO]- 226.08332 179.4
[M+Na-2H]- 188.04414 144.7
[M]+ 167.06892 144.3
[M]- 167.07002 144.3
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.