CID 132351030

2138033-02-8

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

InChI=1S/C8H10N2O/c1-10-8(2-3-9-10)7-4-6(7)5-11/h2-3,5-7H,4H2,1H3/t6-,7+/m0/s1

InChIKey

QGURJTGJHLYOSY-NKWVEPMBSA-N

Compound name

cis-(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.07932 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]+	151.086596	135.4
[M+Na]+	173.068538	147.2
[M-H]-	149.072044	140.8
[M+NH4]+	168.113143	151.2
[M+K]+	189.042478	143.7
[M+H-H2O]+	133.076580	128.1
[M+HCOO]-	195.077521	159.0
[M+CH3COO]-	209.093171	179.2
[M+Na-2H]-	171.053986	140.1
[M]+	150.07877142	139.0
[M]-	150.07986858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.