CID 49842364

1994331-17-7

Structural Information

Molecular Formula
C9H17N5O4
SMILES
C(CCNC(=O)OCCN=[N+]=[N-])C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H17N5O4/c10-7(8(15)16)3-1-2-4-12-9(17)18-6-5-13-14-11/h7H,1-6,10H2,(H,12,17)(H,15,16)/t7-/m0/s1
InChIKey
RPLCQQYRZLXMKL-ZETCQYMHSA-N
Compound name
(2S)-2-amino-6-(2-azidoethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

533
Patents

259.12805 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13533 154.5
[M+Na]+ 282.11727 156.8
[M-H]- 258.12077 154.9
[M+NH4]+ 277.16187 203.9
[M+K]+ 298.09121 152.6
[M+H-H2O]+ 242.12531 151.2
[M+HCOO]- 304.12625 182.3
[M+CH3COO]- 318.14190 199.7
[M+Na-2H]- 280.10272 159.4
[M]+ 259.12750 152.1
[M]- 259.12860 152.1
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