CID 94309

2-methylserine

Structural Information

Molecular Formula
C4H9NO3
SMILES
CC(CO)(C(=O)O)N
InChI
InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
InChIKey
CDUUKBXTEOFITR-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

7969
Patents

119.05824 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.0
[M+Na]+ 142.04746 129.8
[M-H]- 118.05096 120.5
[M+NH4]+ 137.09206 143.5
[M+K]+ 158.02140 129.4
[M+H-H2O]+ 102.05550 119.2
[M+HCOO]- 164.05644 143.1
[M+CH3COO]- 178.07209 166.3
[M+Na-2H]- 140.03291 128.6
[M]+ 119.05769 120.3
[M]- 119.05879 120.3
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