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
3
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]+ 190.131196 138.5
[M+Na]+ 212.113138 143.8
[M-H]- 188.116644 138.9
[M+NH4]+ 207.157743 157.5
[M+K]+ 228.087078 138.3
[M+H-H2O]+ 172.121180 136.2
[M+HCOO]- 234.122121 161.9
[M+CH3COO]- 248.137771 180.9
[M+Na-2H]- 210.098586 147.2
[M]+ 189.12337142 138.9
[M]- 189.12446858 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