CID 132353748

5-(iodomethyl)-4,4-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H12INO
SMILES
CC1(CC(=O)NC1CI)C
InChI
InChI=1S/C7H12INO/c1-7(2)3-6(10)9-5(7)4-8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
ULZSEJOSSQVXKS-UHFFFAOYSA-N
Compound name
5-(iodomethyl)-4,4-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99635 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00363 135.8
[M+Na]+ 275.98557 137.3
[M-H]- 251.98907 130.2
[M+NH4]+ 271.03017 154.3
[M+K]+ 291.95951 141.2
[M+H-H2O]+ 235.99361 128.0
[M+HCOO]- 297.99455 151.4
[M+CH3COO]- 312.01020 181.0
[M+Na-2H]- 273.97102 128.0
[M]+ 252.99580 131.0
[M]- 252.99690 131.0
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.