CID 8761

Bicine

Structural Information

Molecular Formula
C6H13NO4
SMILES
C(CO)N(CCO)CC(=O)O
InChI
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKey
FSVCELGFZIQNCK-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

126
References

51731
Patents

163.08446 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.091736 134.9
[M+Na]+ 186.073678 140.0
[M-H]- 162.077184 132.2
[M+NH4]+ 181.118283 153.6
[M+K]+ 202.047618 140.1
[M+H-H2O]+ 146.081720 129.7
[M+HCOO]- 208.082661 155.7
[M+CH3COO]- 222.098311 175.7
[M+Na-2H]- 184.059126 138.5
[M]+ 163.08391142 135.2
[M]- 163.08500858 135.2
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