CID 3162831

926206-87-3

Structural Information

Molecular Formula
C9H14ClN3O
SMILES
CC(C)N1C(=CC=N1)NC(=O)C(C)Cl
InChI
InChI=1S/C9H14ClN3O/c1-6(2)13-8(4-5-11-13)12-9(14)7(3)10/h4-7H,1-3H3,(H,12,14)
InChIKey
YIYHEKWPQOHKFS-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.08253 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08981 147.9
[M+Na]+ 238.07175 155.5
[M-H]- 214.07525 148.9
[M+NH4]+ 233.11635 166.2
[M+K]+ 254.04569 152.9
[M+H-H2O]+ 198.07979 141.0
[M+HCOO]- 260.08073 164.4
[M+CH3COO]- 274.09638 189.6
[M+Na-2H]- 236.05720 149.2
[M]+ 215.08198 149.7
[M]- 215.08308 149.7
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.