CID 10844435

1-cyclopentylpyrazole

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CCC(C1)N2C=CC=N2
InChI
InChI=1S/C8H12N2/c1-2-5-8(4-1)10-7-3-6-9-10/h3,6-8H,1-2,4-5H2
InChIKey
JZSAQAFZTUPWAR-UHFFFAOYSA-N
Compound name
1-cyclopentylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

136.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 129.6
[M+Na]+ 159.08927 140.4
[M+NH4]+ 154.13387 138.8
[M+K]+ 175.06321 137.6
[M-H]- 135.09277 131.9
[M+Na-2H]- 157.07472 136.4
[M]+ 136.09950 131.6
[M]- 136.10060 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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