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-3-ethyl-1-methylpyrazol-5-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]+	175.063256	134.6
[M+Na]+	197.045198	145.8
[M-H]-	173.048704	134.8
[M+NH4]+	192.089803	155.0
[M+K]+	213.019138	142.1
[M+H-H2O]+	157.053240	129.0
[M+HCOO]-	219.054181	151.9
[M+CH3COO]-	233.069831	177.4
[M+Na-2H]-	195.030646	138.2
[M]+	174.05543142	137.8
[M]-	174.05652858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe