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
9
Annotation Hits

372
References

40892
Patents

103.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.0
[M+Na]+ 126.05255 126.0
[M-H]- 102.05605 119.8
[M+NH4]+ 121.09715 141.8
[M+K]+ 142.02649 127.5
[M+H-H2O]+ 86.060590 114.5
[M+HCOO]- 148.06153 143.2
[M+CH3COO]- 162.07718 170.6
[M+Na-2H]- 124.03800 124.8
[M]+ 103.06278 119.6
[M]- 103.06388 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