CID 249

Betaine aldehyde

Structural Information

Molecular Formula
C5H12NO
SMILES
C[N+](C)(C)CC=O
InChI
InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
InChIKey
SXKNCCSPZDCRFD-UHFFFAOYSA-N
Compound name
trimethyl(2-oxoethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

222
References

1673
Patents

102.09189 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.09917 117.3
[M+Na]+ 125.08111 130.0
[M+NH4]+ 120.12571 127.1
[M+K]+ 141.05505 125.3
[M-H]- 101.08461 119.4
[M+Na-2H]- 123.06656 123.7
[M]+ 102.09134 120.0
[M]- 102.09244 120.0
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