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
2
Annotation Hits

0
References

47
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 138.5
[M+Na]+ 212.11314 143.8
[M-H]- 188.11664 138.9
[M+NH4]+ 207.15774 157.5
[M+K]+ 228.08708 138.3
[M+H-H2O]+ 172.12118 136.2
[M+HCOO]- 234.12212 161.9
[M+CH3COO]- 248.13777 180.9
[M+Na-2H]- 210.09859 147.2
[M]+ 189.12337 138.9
[M]- 189.12447 138.9
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