CID 165945298

1-tert-butyl-1h-1,2,4-triazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H11N3O
SMILES
CC(C)(C)N1C(=NC=N1)C=O
InChI
InChI=1S/C7H11N3O/c1-7(2,3)10-6(4-11)8-5-9-10/h4-5H,1-3H3
InChIKey
SNTPZIMGOURHPE-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,2,4-triazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 132.9
[M+Na]+ 176.07943 142.9
[M-H]- 152.08293 133.1
[M+NH4]+ 171.12403 152.3
[M+K]+ 192.05337 141.9
[M+H-H2O]+ 136.08747 126.1
[M+HCOO]- 198.08841 153.8
[M+CH3COO]- 212.10406 175.6
[M+Na-2H]- 174.06488 139.6
[M]+ 153.08966 134.9
[M]- 153.09076 134.9
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.