CID 54104349

(2r)-2-{[(benzyloxy)carbonyl]amino}-3-cyclopropylpropanoic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CC1C[C@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(17)12(8-10-6-7-10)15-14(18)19-9-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,15,18)(H,16,17)/t12-/m1/s1
InChIKey
NCRLSXDXLQPBEU-GFCCVEGCSA-N
Compound name
(2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 161.2
[M+Na]+ 286.10497 171.2
[M+NH4]+ 281.14957 167.7
[M+K]+ 302.07891 168.5
[M-H]- 262.10847 169.3
[M+Na-2H]- 284.09042 168.2
[M]+ 263.11520 165.6
[M]- 263.11630 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

patents stripe