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

8
Patents

179.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.3
[M+Na]+ 202.095088 146.1
[M-H]- 178.098594 141.3
[M+NH4]+ 197.139693 156.6
[M+K]+ 218.069028 143.8
[M+H-H2O]+ 162.103130 130.2
[M+HCOO]- 224.104071 158.2
[M+CH3COO]- 238.119721 178.5
[M+Na-2H]- 200.080536 143.4
[M]+ 179.10532142 135.7
[M]- 179.10641858 135.7
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

patents stripe