CID 70666

Dansylglycine

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
InChIKey
QHFXORCWAQTTGH-UHFFFAOYSA-N
Compound name
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

569
Patents

308.08307 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 165.9
[M+Na]+ 331.07229 172.4
[M-H]- 307.07579 170.3
[M+NH4]+ 326.11689 181.3
[M+K]+ 347.04623 169.7
[M+H-H2O]+ 291.08033 159.1
[M+HCOO]- 353.08127 183.0
[M+CH3COO]- 367.09692 208.0
[M+Na-2H]- 329.05774 170.8
[M]+ 308.08252 169.8
[M]- 308.08362 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.