CID 12560816

73119-46-7

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1(C=CC(=O)N1)C
InChI
InChI=1S/C6H9NO/c1-6(2)4-3-5(8)7-6/h3-4H,1-2H3,(H,7,8)
InChIKey
FNFBYBPLDWFKRP-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.6
[M+Na]+ 134.05763 129.0
[M-H]- 110.06113 121.2
[M+NH4]+ 129.10223 144.4
[M+K]+ 150.03157 127.4
[M+H-H2O]+ 94.065670 115.3
[M+HCOO]- 156.06661 142.2
[M+CH3COO]- 170.08226 164.5
[M+Na-2H]- 132.04308 126.2
[M]+ 111.06786 117.8
[M]- 111.06896 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe