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]+ 126.091336 126.0
[M+Na]+ 148.073278 133.7
[M-H]- 124.076784 127.0
[M+NH4]+ 143.117883 148.1
[M+K]+ 164.047218 132.2
[M+H-H2O]+ 108.081320 120.6
[M+HCOO]- 170.082261 147.1
[M+CH3COO]- 184.097911 168.8
[M+Na-2H]- 146.058726 129.5
[M]+ 125.08351142 123.5
[M]- 125.08460858 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.