CID 56777330

1-cyclopentyl-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C8H11IN2
SMILES
C1CCC(C1)N2C=C(C=N2)I
InChI
InChI=1S/C8H11IN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKey
SWVDDTMQCDASQR-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

261.9967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00398 134.8
[M+Na]+ 284.98592 135.6
[M-H]- 260.98942 131.8
[M+NH4]+ 280.03052 151.5
[M+K]+ 300.95986 139.7
[M+H-H2O]+ 244.99396 124.0
[M+HCOO]- 306.99490 152.2
[M+CH3COO]- 321.01055 144.3
[M+Na-2H]- 282.97137 126.5
[M]+ 261.99615 129.8
[M]- 261.99725 129.8
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

patents stripe