CID 6454276

Ns00123177

Structural Information

Molecular Formula
C7H17N2O2
SMILES
C[N+](C)(CCCN)CC(=O)O
InChI
InChI=1S/C7H16N2O2/c1-9(2,5-3-4-8)6-7(10)11/h3-6,8H2,1-2H3/p+1
InChIKey
LJXQDBPJFICXJU-UHFFFAOYSA-O
Compound name
3-aminopropyl-(carboxymethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

161.129 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.136276 132.7
[M+Na]+ 184.118218 138.2
[M-H]- 160.121724 132.7
[M+NH4]+ 179.162823 152.7
[M+K]+ 200.092158 132.7
[M+H-H2O]+ 144.126260 130.8
[M+HCOO]- 206.127201 155.3
[M+CH3COO]- 220.142851 176.2
[M+Na-2H]- 182.103666 140.7
[M]+ 161.12845142 130.9
[M]- 161.12954858 130.9
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