CID 79809

Cyclopentaneacetonitrile

Structural Information

Molecular Formula
C7H11N
SMILES
C1CCC(C1)CC#N
InChI
InChI=1S/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2
InChIKey
BKMDIBDWHXWKSV-UHFFFAOYSA-N
Compound name
2-cyclopentylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

109.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 122.6
[M+Na]+ 132.07837 131.3
[M-H]- 108.08187 125.6
[M+NH4]+ 127.12297 144.7
[M+K]+ 148.05231 128.9
[M+H-H2O]+ 92.086410 110.9
[M+HCOO]- 154.08735 142.2
[M+CH3COO]- 168.10300 181.2
[M+Na-2H]- 130.06382 127.7
[M]+ 109.08860 115.1
[M]- 109.08970 115.1
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