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

6530
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

literature stripe

Patent stripe

patents stripe