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

108
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.8
[M+Na]+ 174.08894 139.8
[M-H]- 150.09244 135.4
[M+NH4]+ 169.13354 151.5
[M+K]+ 190.06288 137.3
[M+H-H2O]+ 134.09698 120.9
[M+HCOO]- 196.09792 149.4
[M+CH3COO]- 210.11357 188.5
[M+Na-2H]- 172.07439 136.9
[M]+ 151.09917 124.1
[M]- 151.10027 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