CID 103940319

1922901-85-6

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)OCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-9(2)20-8-13(17)15-12(14(18)19)7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKey
LDLJKDLVUSVMBU-LBPRGKRZSA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.133576 164.9
[M+Na]+ 304.115518 168.5
[M-H]- 280.119024 165.2
[M+NH4]+ 299.160123 178.6
[M+K]+ 320.089458 167.4
[M+H-H2O]+ 264.123560 158.1
[M+HCOO]- 326.124501 183.3
[M+CH3COO]- 340.140151 199.2
[M+Na-2H]- 302.100966 164.2
[M]+ 281.12575142 165.6
[M]- 281.12684858 165.6
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.