CID 155977856

1-tert-butyl-3-cyclopropyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)(C)N1C(=CC(=N1)C2CC2)C=O
InChI
InChI=1S/C11H16N2O/c1-11(2,3)13-9(7-14)6-10(12-13)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKey
PRVHSTGATYYVPB-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-cyclopropylpyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 148.7
[M+Na]+ 215.115488 159.6
[M-H]- 191.118994 154.0
[M+NH4]+ 210.160093 163.1
[M+K]+ 231.089428 155.8
[M+H-H2O]+ 175.123530 141.7
[M+HCOO]- 237.124471 169.8
[M+CH3COO]- 251.140121 187.5
[M+Na-2H]- 213.100936 152.6
[M]+ 192.12572142 152.8
[M]- 192.12681858 152.8
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.