CID 41031989

1017502-16-7

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=C(C(=NN1C)C)CC(=O)N
InChI
InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)
InChIKey
JQSGNNVZAVLVHV-UHFFFAOYSA-N
Compound name
2-(1,3,5-trimethylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.1
[M+Na]+ 190.09509 145.9
[M-H]- 166.09859 137.6
[M+NH4]+ 185.13969 156.0
[M+K]+ 206.06903 144.2
[M+H-H2O]+ 150.10313 129.5
[M+HCOO]- 212.10407 159.0
[M+CH3COO]- 226.11972 183.4
[M+Na-2H]- 188.08054 138.5
[M]+ 167.10532 136.9
[M]- 167.10642 136.9
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