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]+ 182.15395 140.4
[M+Na]+ 204.13589 148.7
[M-H]- 180.13939 142.9
[M+NH4]+ 199.18049 163.4
[M+K]+ 220.10983 147.3
[M+H-H2O]+ 164.14393 135.4
[M+HCOO]- 226.14487 161.8
[M+CH3COO]- 240.16052 184.3
[M+Na-2H]- 202.12134 143.0
[M]+ 181.14612 142.0
[M]- 181.14722 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.