CID 7612

Cyclopentadiene

Structural Information

Molecular Formula
C5H6
SMILES
C1C=CC=C1
InChI
InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
InChIKey
ZSWFCLXCOIISFI-UHFFFAOYSA-N
Compound name
cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

14194
References

297262
Patents

66.04695 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 67.054226 108.3
[M+Na]+ 89.036168 116.4
[M-H]- 65.039674 112.1
[M+NH4]+ 84.080773 134.4
[M+K]+ 105.01011 116.0
[M+H-H2O]+ 49.044210 103.7
[M+HCOO]- 111.04515 134.9
[M+CH3COO]- 125.06080 158.7
[M+Na-2H]- 87.021616 117.2
[M]+ 66.046401 107.1
[M]- 66.047499 107.1
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

patents stripe