CID 11309597

3-cyclohexyl-3-oxopropanenitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCC(CC1)C(=O)CC#N
InChI
InChI=1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8H,1-6H2
InChIKey
SFILZUIMJFKTHM-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.8
[M+Na]+ 174.088938 139.8
[M-H]- 150.092444 135.4
[M+NH4]+ 169.133543 151.5
[M+K]+ 190.062878 137.3
[M+H-H2O]+ 134.096980 120.9
[M+HCOO]- 196.097921 149.4
[M+CH3COO]- 210.113571 188.5
[M+Na-2H]- 172.074386 136.9
[M]+ 151.09917142 124.1
[M]- 151.10026858 124.1
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