CID 2435974

L-alanine, n-[(2-naphthalenyloxy)acetyl]-, methyl ester

Structural Information

Molecular Formula
C16H17NO4
SMILES
C[C@@H](C(=O)OC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H17NO4/c1-11(16(19)20-2)17-15(18)10-21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKey
RANRDFZKUOWANN-NSHDSACASA-N
Compound name
methyl (2S)-2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.2
[M+Na]+ 310.10497 170.4
[M-H]- 286.10847 169.2
[M+NH4]+ 305.14957 181.1
[M+K]+ 326.07891 168.8
[M+H-H2O]+ 270.11301 157.7
[M+HCOO]- 332.11395 186.5
[M+CH3COO]- 346.12960 203.8
[M+Na-2H]- 308.09042 169.0
[M]+ 287.11520 168.2
[M]- 287.11630 168.2
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.