CID 3017860

68489-03-2

Structural Information

Molecular Formula
C14H25NO
SMILES
CC(C)C1(CCCCC1)C(=O)N2CCCC2
InChI
InChI=1S/C14H25NO/c1-12(2)14(8-4-3-5-9-14)13(16)15-10-6-7-11-15/h12H,3-11H2,1-2H3
InChIKey
VYGLAJBJMFWDCM-UHFFFAOYSA-N
Compound name
(1-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 157.9
[M+Na]+ 246.182838 160.0
[M-H]- 222.186344 161.4
[M+NH4]+ 241.227443 177.7
[M+K]+ 262.156778 158.4
[M+H-H2O]+ 206.190880 150.8
[M+HCOO]- 268.191821 172.9
[M+CH3COO]- 282.207471 188.2
[M+Na-2H]- 244.168286 156.8
[M]+ 223.19307142 150.6
[M]- 223.19416858 150.6
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

No patent data available for this compound.