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]+ 260.20088 165.6
[M+Na]+ 282.18282 169.1
[M-H]- 258.18632 169.9
[M+NH4]+ 277.22742 182.3
[M+K]+ 298.15676 166.4
[M+H-H2O]+ 242.19086 157.7
[M+HCOO]- 304.19180 182.9
[M+CH3COO]- 318.20745 199.1
[M+Na-2H]- 280.16827 163.1
[M]+ 259.19305 163.4
[M]- 259.19415 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.