CID 171119212

Alpha-carboxyethylhydroxychroman glycine

Structural Information

Molecular Formula
C18H25NO5
SMILES
CC1=C(C2=C(CC[C@@](O2)(C)CCC(=O)NCC(=O)O)C(=C1O)C)C
InChI
InChI=1S/C18H25NO5/c1-10-11(2)17-13(12(3)16(10)23)5-7-18(4,24-17)8-6-14(20)19-9-15(21)22/h23H,5-9H2,1-4H3,(H,19,20)(H,21,22)/t18-/m0/s1
InChIKey
HDDPCBCSAGMCPO-SFHVURJKSA-N
Compound name
2-[3-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]propanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18056 178.7
[M+Na]+ 358.16250 185.1
[M-H]- 334.16600 181.1
[M+NH4]+ 353.20710 193.1
[M+K]+ 374.13644 183.4
[M+H-H2O]+ 318.17054 173.0
[M+HCOO]- 380.17148 193.4
[M+CH3COO]- 394.18713 212.9
[M+Na-2H]- 356.14795 179.6
[M]+ 335.17273 180.9
[M]- 335.17383 180.9
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.