CID 175541

93460-30-1

Structural Information

Molecular Formula
C11H18ClN3O
SMILES
CC1=NN(C=C1)C(=O)NCCCCCCCl
InChI
InChI=1S/C11H18ClN3O/c1-10-6-9-15(14-10)11(16)13-8-5-3-2-4-7-12/h6,9H,2-5,7-8H2,1H3,(H,13,16)
InChIKey
VLIMOHJRXUWFJR-UHFFFAOYSA-N
Compound name
N-(6-chlorohexyl)-3-methylpyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11385 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12113 157.2
[M+Na]+ 266.10307 164.5
[M-H]- 242.10657 157.5
[M+NH4]+ 261.14767 174.5
[M+K]+ 282.07701 160.5
[M+H-H2O]+ 226.11111 149.5
[M+HCOO]- 288.11205 174.9
[M+CH3COO]- 302.12770 193.1
[M+Na-2H]- 264.08852 159.7
[M]+ 243.11330 160.8
[M]- 243.11440 160.8
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.