CID 13592118

3-cyclopentyl-3-oxopropanenitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CCC(C1)C(=O)CC#N
InChI
InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2
InChIKey
FOCJXECLIBAZSA-UHFFFAOYSA-N
Compound name
3-cyclopentyl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

137.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 130.6
[M+Na]+ 160.07328 138.9
[M-H]- 136.07678 133.5
[M+NH4]+ 155.11788 151.5
[M+K]+ 176.04722 136.4
[M+H-H2O]+ 120.08132 118.7
[M+HCOO]- 182.08226 149.3
[M+CH3COO]- 196.09791 185.6
[M+Na-2H]- 158.05873 133.9
[M]+ 137.08351 123.4
[M]- 137.08461 123.4
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