CID 54031

Brn 0170462

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCN1C(=CC(=N1)C)OC(=O)N(C)C
InChI
InChI=1S/C9H15N3O2/c1-5-12-8(6-7(2)10-12)14-9(13)11(3)4/h6H,5H2,1-4H3
InChIKey
XTNLLPAHRVTEOT-UHFFFAOYSA-N
Compound name
(2-ethyl-5-methylpyrazol-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 143.3
[M+Na]+ 220.10564 151.9
[M-H]- 196.10914 146.3
[M+NH4]+ 215.15024 162.7
[M+K]+ 236.07958 152.3
[M+H-H2O]+ 180.11368 136.0
[M+HCOO]- 242.11462 167.3
[M+CH3COO]- 256.13027 190.1
[M+Na-2H]- 218.09109 146.3
[M]+ 197.11587 147.7
[M]- 197.11697 147.7
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.