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]+ 154.097486 132.9
[M+Na]+ 176.079428 142.9
[M-H]- 152.082934 133.1
[M+NH4]+ 171.124033 152.3
[M+K]+ 192.053368 141.9
[M+H-H2O]+ 136.087470 126.1
[M+HCOO]- 198.088411 153.8
[M+CH3COO]- 212.104061 175.6
[M+Na-2H]- 174.064876 139.6
[M]+ 153.08966142 134.9
[M]- 153.09075858 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.