CID 57359274

1126223-57-1

Structural Information

Molecular Formula

C₇H₁₁ClN₂O

SMILES

CCC1=NN(C(=C1Cl)CO)C

InChI

InChI=1S/C7H11ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h11H,3-4H2,1-2H3

InChIKey

CCGRWYYVECOFDH-UHFFFAOYSA-N

Compound name

(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.05598 Da
Monoisotopic Mass: 0.8
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]+	175.06326	134.6
[M+Na]+	197.04520	145.8
[M-H]-	173.04870	134.8
[M+NH4]+	192.08980	155.0
[M+K]+	213.01914	142.1
[M+H-H2O]+	157.05324	129.0
[M+HCOO]-	219.05418	151.9
[M+CH3COO]-	233.06983	177.4
[M+Na-2H]-	195.03065	138.2
[M]+	174.05543	137.8
[M]-	174.05653	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe