CID 1549475

2751602-86-3

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1=CC=C(C=C1)C(=O)NCCCC[C@H](C(=O)O)N
InChI
InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKey
KODLJWKGAKBGOB-LLVKDONJSA-N
Compound name
(2R)-2-amino-6-benzamidohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.13174 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 159.2
[M+Na]+ 273.12096 162.3
[M-H]- 249.12446 160.1
[M+NH4]+ 268.16556 174.1
[M+K]+ 289.09490 160.1
[M+H-H2O]+ 233.12900 151.9
[M+HCOO]- 295.12994 180.4
[M+CH3COO]- 309.14559 196.7
[M+Na-2H]- 271.10641 160.5
[M]+ 250.13119 156.9
[M]- 250.13229 156.9
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

patents stripe