CID 171990434

Hennamide

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)C[C@H]1C=CC(=O)N1C(=O)[C@H](C(C)C)O
InChI
InChI=1S/C13H21NO3/c1-8(2)7-10-5-6-11(15)14(10)13(17)12(16)9(3)4/h5-6,8-10,12,16H,7H2,1-4H3/t10-,12+/m1/s1
InChIKey
UBOOURRNYCGJBG-PWSUYJOCSA-N
Compound name
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-2-(2-methylpropyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 157.3
[M+Na]+ 262.14137 162.8
[M-H]- 238.14487 158.0
[M+NH4]+ 257.18597 174.8
[M+K]+ 278.11531 161.7
[M+H-H2O]+ 222.14941 151.4
[M+HCOO]- 284.15035 174.1
[M+CH3COO]- 298.16600 193.4
[M+Na-2H]- 260.12682 153.5
[M]+ 239.15160 157.6
[M]- 239.15270 157.6
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.