CID 43805600

3-cyclohexyl-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H16N2O
SMILES
CN1C=C(C(=N1)C2CCCCC2)C=O
InChI
InChI=1S/C11H16N2O/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKey
NHZZPDWAOXTGKW-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 143.6
[M+Na]+ 215.115488 150.5
[M-H]- 191.118994 147.1
[M+NH4]+ 210.160093 162.1
[M+K]+ 231.089428 147.9
[M+H-H2O]+ 175.123530 135.6
[M+HCOO]- 237.124471 163.2
[M+CH3COO]- 251.140121 182.8
[M+Na-2H]- 213.100936 146.1
[M]+ 192.12572142 140.6
[M]- 192.12681858 140.6
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