CID 79784

Tricine

Structural Information

Molecular Formula
C6H13NO5
SMILES
C(C(=O)O)NC(CO)(CO)CO
InChI
InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
InChIKey
SEQKRHFRPICQDD-UHFFFAOYSA-N
Compound name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

503
References

38452
Patents

179.07938 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 137.5
[M+Na]+ 202.068598 142.2
[M-H]- 178.072104 132.1
[M+NH4]+ 197.113203 154.1
[M+K]+ 218.042538 141.1
[M+H-H2O]+ 162.076640 133.0
[M+HCOO]- 224.077581 154.9
[M+CH3COO]- 238.093231 172.6
[M+Na-2H]- 200.054046 142.2
[M]+ 179.07883142 135.6
[M]- 179.07992858 135.6
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