CID 1088

Sarcosine

Structural Information

Molecular Formula
C3H7NO2
SMILES
CNCC(=O)O
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
Compound name
2-(methylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2150
References

118615
Patents

89.047676 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 114.8
[M+Na]+ 112.03689 122.0
[M-H]- 88.040400 114.2
[M+NH4]+ 107.08150 137.5
[M+K]+ 128.01083 122.3
[M+H-H2O]+ 72.044936 110.6
[M+HCOO]- 134.04588 138.7
[M+CH3COO]- 148.06153 164.0
[M+Na-2H]- 110.02234 121.9
[M]+ 89.047127 113.7
[M]- 89.048225 113.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.