CID 46961

Tl-1511

Structural Information

Molecular Formula
C13H21N2O3
SMILES
CC1=C(C=C(C=C1)[N+](C)(C)CCO)OC(=O)NC
InChI
InChI=1S/C13H20N2O3/c1-10-5-6-11(15(3,4)7-8-16)9-12(10)18-13(17)14-2/h5-6,9,16H,7-8H2,1-4H3/p+1
InChIKey
QDYROYUWJPJYBE-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15521 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16249 156.2
[M+Na]+ 276.14443 162.2
[M-H]- 252.14793 160.3
[M+NH4]+ 271.18903 173.1
[M+K]+ 292.11837 155.5
[M+H-H2O]+ 236.15247 152.7
[M+HCOO]- 298.15341 179.3
[M+CH3COO]- 312.16906 193.4
[M+Na-2H]- 274.12988 163.7
[M]+ 253.15466 157.3
[M]- 253.15576 157.3
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.