CID 51888174

1807940-87-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CN1C=C(C=N1)[C@@H]2C[C@H]2C(=O)O

InChI

InChI=1S/C8H10N2O2/c1-10-4-5(3-9-10)6-2-7(6)8(11)12/h3-4,6-7H,2H2,1H3,(H,11,12)/t6-,7+/m0/s1

InChIKey

BLAROOKLCXZXMV-NKWVEPMBSA-N

Compound name

(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 166.07423 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.08151	137.6
[M+Na]+	189.06345	149.9
[M+NH4]+	184.10805	145.2
[M+K]+	205.03739	148.5
[M-H]-	165.06695	144.9
[M+Na-2H]-	187.04890	144.9
[M]+	166.07368	142.2
[M]-	166.07478	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe