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]+ 218.15395 149.7
[M+Na]+ 240.13589 157.9
[M-H]- 216.13939 154.1
[M+NH4]+ 235.18049 170.5
[M+K]+ 256.10983 153.7
[M+H-H2O]+ 200.14393 143.6
[M+HCOO]- 262.14487 169.7
[M+CH3COO]- 276.16052 186.8
[M+Na-2H]- 238.12134 151.9
[M]+ 217.14612 147.6
[M]- 217.14722 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.