CID 132586349

1-cyclopentyl-4-iodo-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H11IN2O
SMILES
C1CCC(C1)N2C=C(C(=N2)C=O)I
InChI
InChI=1S/C9H11IN2O/c10-8-5-12(11-9(8)6-13)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
MJRWDMPHIPRZRX-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-iodopyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9916 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99888 141.8
[M+Na]+ 312.98082 143.2
[M-H]- 288.98432 139.0
[M+NH4]+ 308.02542 157.6
[M+K]+ 328.95476 146.9
[M+H-H2O]+ 272.98886 131.1
[M+HCOO]- 334.98980 159.2
[M+CH3COO]- 349.00545 188.2
[M+Na-2H]- 310.96627 132.2
[M]+ 289.99105 138.1
[M]- 289.99215 138.1
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.