CID 62136613

4-(dimethyl-1h-1,2,4-triazol-1-yl)-2-methylbenzaldehyde

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=C(C=CC(=C1)N2C(=NC(=N2)C)C)C=O
InChI
InChI=1S/C12H13N3O/c1-8-6-12(5-4-11(8)7-16)15-10(3)13-9(2)14-15/h4-7H,1-3H3
InChIKey
KVJDLYYDYIVVQL-UHFFFAOYSA-N
Compound name
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

215.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.7
[M+Na]+ 238.09509 163.4
[M+NH4]+ 233.13969 156.0
[M+K]+ 254.06903 158.5
[M-H]- 214.09859 150.9
[M+Na-2H]- 236.08054 156.1
[M]+ 215.10532 151.4
[M]- 215.10642 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.