CID 192884

6340-41-6

Structural Information

Molecular Formula
C6H14NO2
SMILES
C[N+](C)(C)CCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3/p+1
InChIKey
ACZVSMNFVFBOTM-UHFFFAOYSA-O
Compound name
2-carboxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

780
Patents

132.10245 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10973 124.3
[M+Na]+ 155.09167 131.2
[M-H]- 131.09517 125.2
[M+NH4]+ 150.13627 146.2
[M+K]+ 171.06561 126.4
[M+H-H2O]+ 115.09971 123.2
[M+HCOO]- 177.10065 146.9
[M+CH3COO]- 191.11630 169.1
[M+Na-2H]- 153.07712 133.7
[M]+ 132.10190 124.1
[M]- 132.10300 124.1
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