CID 61950670

1-chlorocyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C6H8ClN
SMILES
C1CCC(C1)(C#N)Cl
InChI
InChI=1S/C6H8ClN/c7-6(5-8)3-1-2-4-6/h1-4H2
InChIKey
TUAGXRRRBSXKCD-UHFFFAOYSA-N
Compound name
1-chlorocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

129.03453 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04181 125.6
[M+Na]+ 152.02375 136.8
[M-H]- 128.02725 129.2
[M+NH4]+ 147.06835 149.7
[M+K]+ 167.99769 131.8
[M+H-H2O]+ 112.03179 115.7
[M+HCOO]- 174.03273 141.6
[M+CH3COO]- 188.04838 181.6
[M+Na-2H]- 150.00920 131.7
[M]+ 129.03398 119.7
[M]- 129.03508 119.7
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