CID 3159701

1001020-17-2

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)(C)C1=C(C=NN1)C=O
InChI
InChI=1S/C8H12N2O/c1-8(2,3)7-6(5-11)4-9-10-7/h4-5H,1-3H3,(H,9,10)
InChIKey
JQCJTNPAWAQSFC-UHFFFAOYSA-N
Compound name
5-tert-butyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

152.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 133.5
[M+Na]+ 175.084178 142.6
[M-H]- 151.087684 133.6
[M+NH4]+ 170.128783 153.6
[M+K]+ 191.058118 140.5
[M+H-H2O]+ 135.092220 127.7
[M+HCOO]- 197.093161 153.9
[M+CH3COO]- 211.108811 173.0
[M+Na-2H]- 173.069626 139.3
[M]+ 152.09441142 133.5
[M]- 152.09550858 133.5
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