CID 23005932

1007504-11-1

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC1=C(C(=NN1C)C)C(C)O

InChI

InChI=1S/C8H14N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h7,11H,1-4H3

InChIKey

QLXNNOQOYZJECH-UHFFFAOYSA-N

Compound name

1-(1,3,5-trimethylpyrazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.11061 Da
Monoisotopic Mass: 0.5
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]+	155.117886	133.0
[M+Na]+	177.099828	142.9
[M-H]-	153.103334	133.5
[M+NH4]+	172.144433	153.4
[M+K]+	193.073768	141.4
[M+H-H2O]+	137.107870	127.1
[M+HCOO]-	199.108811	153.7
[M+CH3COO]-	213.124461	177.5
[M+Na-2H]-	175.085276	135.5
[M]+	154.11006142	134.4
[M]-	154.11115858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe