CID 5280527

N-feruloylglycine

Structural Information

Molecular Formula
C12H13NO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)O)O
InChI
InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+
InChIKey
CLGNQAIRBLDHIN-HWKANZROSA-N
Compound name
2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

251.07938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.086656 153.9
[M+Na]+ 274.068598 160.1
[M-H]- 250.072104 154.9
[M+NH4]+ 269.113203 169.2
[M+K]+ 290.042538 157.8
[M+H-H2O]+ 234.076640 147.5
[M+HCOO]- 296.077581 175.1
[M+CH3COO]- 310.093231 191.1
[M+Na-2H]- 272.054046 156.0
[M]+ 251.07883142 154.7
[M]- 251.07992858 154.7
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