CID 172874661

2-methyl-alpha-pihp

Structural Information

Molecular Formula
C17H25NO
SMILES
CC1=CC=CC=C1C(=O)C(CC(C)C)N2CCCC2
InChI
InChI=1S/C17H25NO/c1-13(2)12-16(18-10-6-7-11-18)17(19)15-9-5-4-8-14(15)3/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3
InChIKey
AOKOELDLOCWLOH-UHFFFAOYSA-N
Compound name
4-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 165.6
[M+Na]+ 282.182818 169.1
[M-H]- 258.186324 169.9
[M+NH4]+ 277.227423 182.3
[M+K]+ 298.156758 166.4
[M+H-H2O]+ 242.190860 157.7
[M+HCOO]- 304.191801 182.9
[M+CH3COO]- 318.207451 199.1
[M+Na-2H]- 280.168266 163.1
[M]+ 259.19305142 163.4
[M]- 259.19414858 163.4
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.