CID 51136278

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C)C(C1=CC(=CC(=O)O1)OC)NC(=O)C
InChI
InChI=1S/C12H17NO4/c1-7(2)12(13-8(3)14)10-5-9(16-4)6-11(15)17-10/h5-7,12H,1-4H3,(H,13,14)
InChIKey
WCMUUYZSUQJWRX-UHFFFAOYSA-N
Compound name
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.1
[M+Na]+ 262.104968 160.0
[M-H]- 238.108474 157.8
[M+NH4]+ 257.149573 169.4
[M+K]+ 278.078908 160.7
[M+H-H2O]+ 222.113010 146.6
[M+HCOO]- 284.113951 175.1
[M+CH3COO]- 298.129601 196.3
[M+Na-2H]- 260.090416 155.9
[M]+ 239.11520142 157.2
[M]- 239.11629858 157.2
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

patents stripe