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

1
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

patents stripe