CID 165795481

5,5-dimethyl-1-(3-methylbutyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C11H19NO
SMILES
CC(C)CCN1C(=O)C=CC1(C)C
InChI
InChI=1S/C11H19NO/c1-9(2)6-8-12-10(13)5-7-11(12,3)4/h5,7,9H,6,8H2,1-4H3
InChIKey
FRGNXIGRWSQEEG-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1-(3-methylbutyl)pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 140.4
[M+Na]+ 204.135888 148.7
[M-H]- 180.139394 142.9
[M+NH4]+ 199.180493 163.4
[M+K]+ 220.109828 147.3
[M+H-H2O]+ 164.143930 135.4
[M+HCOO]- 226.144871 161.8
[M+CH3COO]- 240.160521 184.3
[M+Na-2H]- 202.121336 143.0
[M]+ 181.14612142 142.0
[M]- 181.14721858 142.0
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.