CID 65556621

1487838-04-9

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

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

InChI

InChI=1S/C8H14N2O/c1-5(2)10-7(4)8(11)6(3)9-10/h5,11H,1-4H3

InChIKey

CRVAVBZCFKLSNJ-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1-propan-2-ylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.11061 Da
Monoisotopic Mass: 1.4
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]+	155.11789	133.0
[M+Na]+	177.09983	142.9
[M-H]-	153.10333	133.5
[M+NH4]+	172.14443	153.4
[M+K]+	193.07377	141.4
[M+H-H2O]+	137.10787	127.1
[M+HCOO]-	199.10881	153.7
[M+CH3COO]-	213.12446	177.5
[M+Na-2H]-	175.08528	135.5
[M]+	154.11006	134.4
[M]-	154.11116	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe