CID 673

N,n-dimethylglycine

Structural Information

Molecular Formula
C4H9NO2
SMILES
CN(C)CC(=O)O
InChI
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKey
FFDGPVCHZBVARC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

372
References

40980
Patents

103.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.0
[M+Na]+ 126.052548 126.0
[M-H]- 102.056054 119.8
[M+NH4]+ 121.097153 141.8
[M+K]+ 142.026488 127.5
[M+H-H2O]+ 86.060590 114.5
[M+HCOO]- 148.061531 143.2
[M+CH3COO]- 162.077181 170.6
[M+Na-2H]- 124.037996 124.8
[M]+ 103.06278142 119.6
[M]- 103.06387858 119.6
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