CID 170990666

Luquilloamide b

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(C)[C@H]1C=CC(=O)N1
InChI
InChI=1S/C7H11NO/c1-5(2)6-3-4-7(9)8-6/h3-6H,1-2H3,(H,8,9)/t6-/m1/s1
InChIKey
MZRQFMIUXUHLKK-ZCFIWIBFSA-N
Compound name
(2S)-2-propan-2-yl-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.0
[M+Na]+ 148.07328 133.7
[M-H]- 124.07678 127.0
[M+NH4]+ 143.11788 148.1
[M+K]+ 164.04722 132.2
[M+H-H2O]+ 108.08132 120.6
[M+HCOO]- 170.08226 147.1
[M+CH3COO]- 184.09791 168.8
[M+Na-2H]- 146.05873 129.5
[M]+ 125.08351 123.5
[M]- 125.08461 123.5
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

No patent data available for this compound.