CID 2776936

647824-51-9

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC1=C(C(=NN1C(C)(C)C)C)C=O
InChI
InChI=1S/C10H16N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h6H,1-5H3
InChIKey
WQHXOHHEPNBXMF-UHFFFAOYSA-N
Compound name
1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

180.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 140.3
[M+Na]+ 203.115488 150.9
[M-H]- 179.118994 142.2
[M+NH4]+ 198.160093 160.6
[M+K]+ 219.089428 149.2
[M+H-H2O]+ 163.123530 134.6
[M+HCOO]- 225.124471 161.5
[M+CH3COO]- 239.140121 184.1
[M+Na-2H]- 201.100936 144.3
[M]+ 180.12572142 143.7
[M]- 180.12681858 143.7
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