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

literature stripe

Patent stripe

patents stripe