CID 449236

Formamidopropyl betaine

Structural Information

Molecular Formula
C8H17N2O3
SMILES
C[N+](C)(CCCNC=O)CC(=O)O
InChI
InChI=1S/C8H16N2O3/c1-10(2,6-8(12)13)5-3-4-9-7-11/h7H,3-6H2,1-2H3,(H-,9,11,12,13)/p+1
InChIKey
BQNMPOILUKKBCZ-UHFFFAOYSA-O
Compound name
carboxymethyl-(3-formamidopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

189.12392 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13120 139.6
[M+Na]+ 212.11314 148.5
[M+NH4]+ 207.15774 146.4
[M+K]+ 228.08708 145.7
[M-H]- 188.11664 139.6
[M+Na-2H]- 210.09859 142.8
[M]+ 189.12337 140.8
[M]- 189.12447 140.8
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