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
9
Annotation Hits

3
References

6747
Patents

211.13208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 148.0
[M+Na]+ 234.12130 155.9
[M-H]- 210.12480 151.0
[M+NH4]+ 229.16590 166.7
[M+K]+ 250.09524 156.5
[M+H-H2O]+ 194.12934 140.6
[M+HCOO]- 256.13028 170.6
[M+CH3COO]- 270.14593 194.0
[M+Na-2H]- 232.10675 149.2
[M]+ 211.13153 152.1
[M]- 211.13263 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.