CID 7009644

H-ser-gly-oh

Structural Information

Molecular Formula
C5H10N2O4
SMILES
C([C@@H](C(=O)NCC(=O)O)N)O
InChI
InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChIKey
WOUIMBGNEUWXQG-VKHMYHEASA-N
Compound name
2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

9055
Patents

162.06406 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07134 133.5
[M+Na]+ 185.05328 138.2
[M-H]- 161.05678 130.5
[M+NH4]+ 180.09788 151.4
[M+K]+ 201.02722 138.2
[M+H-H2O]+ 145.06132 128.0
[M+HCOO]- 207.06226 154.2
[M+CH3COO]- 221.07791 176.9
[M+Na-2H]- 183.03873 135.4
[M]+ 162.06351 130.1
[M]- 162.06461 130.1
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