CID 3060731

G 25255

Structural Information

Molecular Formula
C10H18N3O2
SMILES
CC[N+]1(C(=CC(=N1)C)OC(=O)N(C)C)C
InChI
InChI=1S/C10H18N3O2/c1-6-13(5)9(7-8(2)11-13)15-10(14)12(3)4/h7H,6H2,1-5H3/q+1
InChIKey
JZSHXNABSFFCPX-UHFFFAOYSA-N
Compound name
(2-ethyl-2,5-dimethylpyrazol-2-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13991 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14719 142.7
[M+Na]+ 235.12913 151.6
[M-H]- 211.13263 146.1
[M+NH4]+ 230.17373 163.5
[M+K]+ 251.10307 146.4
[M+H-H2O]+ 195.13717 139.2
[M+HCOO]- 257.13811 166.0
[M+CH3COO]- 271.15376 185.6
[M+Na-2H]- 233.11458 149.3
[M]+ 212.13936 145.8
[M]- 212.14046 145.8
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.