CID 9817372

(4s)-4-(2-naphthylmethyl)-d-glutamic acid

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
InChIKey
YDWIUFASTTZKNI-UONOGXRCSA-N
Compound name
(2R,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.11575 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.7
[M+Na]+ 310.10497 169.7
[M-H]- 286.10847 166.3
[M+NH4]+ 305.14957 179.7
[M+K]+ 326.07891 166.7
[M+H-H2O]+ 270.11301 159.0
[M+HCOO]- 332.11395 182.3
[M+CH3COO]- 346.12960 200.9
[M+Na-2H]- 308.09042 166.4
[M]+ 287.11520 163.6
[M]- 287.11630 163.6
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

No patent data available for this compound.