CID 66216568

1-cyclohexyl-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1CCC(CC1)N2C=C(N=N2)C=O

InChI

InChI=1S/C9H13N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2

InChIKey

OORXWBXACGLQRP-UHFFFAOYSA-N

Compound name

1-cyclohexyltriazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.10587 Da
Monoisotopic Mass: 1.2
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]+	180.11315	139.3
[M+Na]+	202.09509	146.1
[M-H]-	178.09859	141.3
[M+NH4]+	197.13969	156.6
[M+K]+	218.06903	143.8
[M+H-H2O]+	162.10313	130.2
[M+HCOO]-	224.10407	158.2
[M+CH3COO]-	238.11972	178.5
[M+Na-2H]-	200.08054	143.4
[M]+	179.10532	135.7
[M]-	179.10642	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe