CID 8393

Isolan

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C

InChI

InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3

InChIKey

RNNBHZYEKNHLKT-UHFFFAOYSA-N

Compound name

(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3
References: 5763
Patents: 211.13208 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]+	212.13936	148.3
[M+Na]+	234.12130	157.6
[M+NH4]+	229.16590	154.4
[M+K]+	250.09524	156.0
[M-H]-	210.12480	147.9
[M+Na-2H]-	232.10675	151.7
[M]+	211.13153	149.1
[M]-	211.13263	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe