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

220
Patents

137.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 130.6
[M+Na]+ 160.073278 138.9
[M-H]- 136.076784 133.5
[M+NH4]+ 155.117883 151.5
[M+K]+ 176.047218 136.4
[M+H-H2O]+ 120.081320 118.7
[M+HCOO]- 182.082261 149.3
[M+CH3COO]- 196.097911 185.6
[M+Na-2H]- 158.058726 133.9
[M]+ 137.08351142 123.4
[M]- 137.08460858 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