CID 23157265

865138-11-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

152.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 133.5
[M+Na]+ 175.08418 142.6
[M-H]- 151.08768 133.6
[M+NH4]+ 170.12878 153.6
[M+K]+ 191.05812 140.5
[M+H-H2O]+ 135.09222 127.7
[M+HCOO]- 197.09316 153.9
[M+CH3COO]- 211.10881 173.0
[M+Na-2H]- 173.06963 139.3
[M]+ 152.09441 133.5
[M]- 152.09551 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