CID 688602

77471-41-1

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)N
InChI
InChI=1S/C13H14N2O3/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14/h3-6,8H,14H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKey
IWSOXHMIRLSLKT-QMMMGPOBSA-N
Compound name
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

246.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.5
[M+Na]+ 269.08967 162.6
[M-H]- 245.09317 159.9
[M+NH4]+ 264.13427 171.0
[M+K]+ 285.06361 161.1
[M+H-H2O]+ 229.09771 147.6
[M+HCOO]- 291.09865 177.0
[M+CH3COO]- 305.11430 199.7
[M+Na-2H]- 267.07512 159.6
[M]+ 246.09990 155.5
[M]- 246.10100 155.5
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

patents stripe