CID 137838545

4-methyl-4-(pyrrolidin-1-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CC1(CCC(=O)CC1)N2CCCC2
InChI
InChI=1S/C11H19NO/c1-11(12-8-2-3-9-12)6-4-10(13)5-7-11/h2-9H2,1H3
InChIKey
MWWITMYZZGAILB-UHFFFAOYSA-N
Compound name
4-methyl-4-pyrrolidin-1-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.0
[M+Na]+ 204.135888 147.8
[M-H]- 180.139394 147.2
[M+NH4]+ 199.180493 164.9
[M+K]+ 220.109828 145.9
[M+H-H2O]+ 164.143930 136.4
[M+HCOO]- 226.144871 161.0
[M+CH3COO]- 240.160521 179.2
[M+Na-2H]- 202.121336 145.3
[M]+ 181.14612142 136.4
[M]- 181.14721858 136.4
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

No patent data available for this compound.