CID 124745805

Rac-(1r,2r)-2-[1-(propan-2-yl)-1h-pyrazol-5-yl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC(C)N1C(=CC=N1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-6(2)12-9(3-4-11-12)7-5-8(7)10(13)14/h3-4,6-8H,5H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKey
IMNOPXLYIQUOMX-HTQZYQBOSA-N
Compound name
(1R,2R)-2-(2-propan-2-ylpyrazol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 145.2
[M+Na]+ 217.09475 156.8
[M+NH4]+ 212.13935 152.4
[M+K]+ 233.06869 155.8
[M-H]- 193.09825 152.2
[M+Na-2H]- 215.08020 151.7
[M]+ 194.10498 149.6
[M]- 194.10608 149.6
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.

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No patent data available for this compound.