CID 3024932

Sr 42003

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CC=C(C=C1)CC2CC(C(=O)N2)(C)C
InChI
InChI=1S/C14H19NO/c1-10-4-6-11(7-5-10)8-12-9-14(2,3)13(16)15-12/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKey
NOSWEUUFFARIPE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 149.7
[M+Na]+ 240.135888 157.9
[M-H]- 216.139394 154.1
[M+NH4]+ 235.180493 170.5
[M+K]+ 256.109828 153.7
[M+H-H2O]+ 200.143930 143.6
[M+HCOO]- 262.144871 169.7
[M+CH3COO]- 276.160521 186.8
[M+Na-2H]- 238.121336 151.9
[M]+ 217.14612142 147.6
[M]- 217.14721858 147.6
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

No patent data available for this compound.