CID 38098

Einecs 254-134-1

Structural Information

Molecular Formula
C8H17N3O4
SMILES
C[C@H](C(=O)N[C@H]1CO[C@@H]([C@@H]([C@H]1O)N)O)N
InChI
InChI=1S/C8H17N3O4/c1-3(9)7(13)11-4-2-15-8(14)5(10)6(4)12/h3-6,8,12,14H,2,9-10H2,1H3,(H,11,13)/t3-,4+,5-,6+,8+/m1/s1
InChIKey
XZCFXWQEALCPOV-VGNSZIIUSA-N
Compound name
(2R)-2-amino-N-[(3S,4R,5R,6S)-5-amino-4,6-dihydroxyoxan-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

219.1219 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12918 150.5
[M+Na]+ 242.11112 154.3
[M-H]- 218.11462 150.9
[M+NH4]+ 237.15572 164.8
[M+K]+ 258.08506 154.3
[M+H-H2O]+ 202.11916 144.1
[M+HCOO]- 264.12010 167.7
[M+CH3COO]- 278.13575 191.9
[M+Na-2H]- 240.09657 150.3
[M]+ 219.12135 143.2
[M]- 219.12245 143.2
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