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

2146
References

109523
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

literature stripe

Patent stripe

patents stripe