CID 239828

3-(dimethylamino)propanoic acid

Structural Information

Molecular Formula
C5H11NO2
SMILES
CN(C)CCC(=O)O
InChI
InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
JMOXSQYGVIXBBZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3259
Patents

117.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 123.7
[M+Na]+ 140.06820 130.3
[M-H]- 116.07170 124.3
[M+NH4]+ 135.11280 146.0
[M+K]+ 156.04214 131.5
[M+H-H2O]+ 100.07624 119.0
[M+HCOO]- 162.07718 147.5
[M+CH3COO]- 176.09283 173.7
[M+Na-2H]- 138.05365 129.0
[M]+ 117.07843 124.7
[M]- 117.07953 124.7
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