CID 121831

Emeriamine

Structural Information

Molecular Formula
C7H17N2O2
SMILES
C[N+](C)(C)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/p+1/t6-/m1/s1
InChIKey
DAWBGYHPBBDHMQ-ZCFIWIBFSA-O
Compound name
[(2R)-2-amino-3-carboxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

248
Patents

161.129 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.136276 132.6
[M+Na]+ 184.118218 137.9
[M-H]- 160.121724 132.8
[M+NH4]+ 179.162823 152.5
[M+K]+ 200.092158 132.9
[M+H-H2O]+ 144.126260 130.8
[M+HCOO]- 206.127201 154.2
[M+CH3COO]- 220.142851 177.0
[M+Na-2H]- 182.103666 139.4
[M]+ 161.12845142 130.1
[M]- 161.12954858 130.1
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