CID 43132

4'-methyl-4-(pyrrolidinyl)butyrophenone

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1=CC=C(C=C1)C(=O)CCCN2CCCC2
InChI
InChI=1S/C15H21NO/c1-13-6-8-14(9-7-13)15(17)5-4-12-16-10-2-3-11-16/h6-9H,2-5,10-12H2,1H3
InChIKey
RZUTUYJHPNNWMF-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 156.3
[M+Na]+ 254.15153 161.2
[M-H]- 230.15503 160.7
[M+NH4]+ 249.19613 174.3
[M+K]+ 270.12547 158.0
[M+H-H2O]+ 214.15957 148.4
[M+HCOO]- 276.16051 176.3
[M+CH3COO]- 290.17616 191.4
[M+Na-2H]- 252.13698 157.3
[M]+ 231.16176 154.6
[M]- 231.16286 154.6
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

patents stripe