CID 6395359

Betaine aldehyde hydrate

Structural Information

Molecular Formula
C5H14NO2
SMILES
C[N+](C)(C)CC(O)O
InChI
InChI=1S/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1
InChIKey
HEHORKLRCFPRON-UHFFFAOYSA-N
Compound name
2,2-dihydroxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

210
Patents

120.102455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10973 121.6
[M+Na]+ 143.09167 128.2
[M-H]- 119.09518 121.3
[M+NH4]+ 138.13628 143.3
[M+K]+ 159.06561 123.4
[M+H-H2O]+ 103.09972 120.8
[M+HCOO]- 165.10066 142.8
[M+CH3COO]- 179.11631 164.4
[M+Na-2H]- 141.07712 130.9
[M]+ 120.10191 119.8
[M]- 120.10300 119.8
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