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]+ 182.15395 143.0
[M+Na]+ 204.13589 147.8
[M-H]- 180.13939 147.2
[M+NH4]+ 199.18049 164.9
[M+K]+ 220.10983 145.9
[M+H-H2O]+ 164.14393 136.4
[M+HCOO]- 226.14487 161.0
[M+CH3COO]- 240.16052 179.2
[M+Na-2H]- 202.12134 145.3
[M]+ 181.14612 136.4
[M]- 181.14722 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.