CID 129321797

1899946-21-4

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN1C=CC(=N1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChIKey
RGWHFGCVORFMCD-PHDIDXHHSA-N
Compound name
(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

166.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 137.7
[M+Na]+ 189.06345 148.7
[M-H]- 165.06695 141.9
[M+NH4]+ 184.10805 152.1
[M+K]+ 205.03739 145.0
[M+H-H2O]+ 149.07149 130.7
[M+HCOO]- 211.07243 159.1
[M+CH3COO]- 225.08808 179.5
[M+Na-2H]- 187.04890 140.9
[M]+ 166.07368 140.4
[M]- 166.07478 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe