CID 163680

98534-15-7

Structural Information

Molecular Formula

C₉H₁₄ClN₃O

SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)NC)Cl

InChI

InChI=1S/C9H14ClN3O/c1-9(2,3)13-7(10)6(5-12-13)8(14)11-4/h5H,1-4H3,(H,11,14)

InChIKey

WPLDLJQZWCVGGR-UHFFFAOYSA-N

Compound name

1-tert-butyl-5-chloro-N-methylpyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 215.08253 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.08981	148.5
[M+Na]+	238.07175	158.0
[M-H]-	214.07525	150.1
[M+NH4]+	233.11635	167.4
[M+K]+	254.04569	154.9
[M+H-H2O]+	198.07979	142.4
[M+HCOO]-	260.08073	165.3
[M+CH3COO]-	274.09638	188.6
[M+Na-2H]-	236.05720	152.2
[M]+	215.08198	151.2
[M]-	215.08308	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe