CID 91704995

Ghuhxbrsgnjmfc-uhfffaoysa-n

Structural Information

Molecular Formula
C15H21NO
SMILES
CCC(C(=O)C1=CC=CC(=C1)C)N2CCCC2
InChI
InChI=1S/C15H21NO/c1-3-14(16-9-4-5-10-16)15(17)13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3
InChIKey
GHUHXBRSGNJMFC-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-2-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 156.4
[M+Na]+ 254.151528 161.1
[M-H]- 230.155034 161.0
[M+NH4]+ 249.196133 174.4
[M+K]+ 270.125468 158.4
[M+H-H2O]+ 214.159570 148.7
[M+HCOO]- 276.160511 175.5
[M+CH3COO]- 290.176161 192.3
[M+Na-2H]- 252.136976 156.2
[M]+ 231.16176142 154.1
[M]- 231.16285858 154.1
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

No patent data available for this compound.