CID 101799553

1314713-40-0

Structural Information

Molecular Formula
C16H28NO7S
SMILES
CC(=C)C(=O)OCC[N+](C)(CCCS(=O)(=O)O)CCOC(=O)C(=C)C
InChI
InChI=1S/C16H27NO7S/c1-13(2)15(18)23-10-8-17(5,7-6-12-25(20,21)22)9-11-24-16(19)14(3)4/h1,3,6-12H2,2,4-5H3/p+1
InChIKey
OFRYGBGGBLFQNQ-UHFFFAOYSA-O
Compound name
methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

378.15866 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16594 192.5
[M+Na]+ 401.14788 200.2
[M-H]- 377.15138 195.5
[M+NH4]+ 396.19248 201.7
[M+K]+ 417.12182 194.2
[M+H-H2O]+ 361.15592 179.0
[M+HCOO]- 423.15686 205.6
[M+CH3COO]- 437.17251 208.9
[M+Na-2H]- 399.13333 185.9
[M]+ 378.15811 194.8
[M]- 378.15921 194.8
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

patents stripe