CID 46024

Tl-1522

Structural Information

Molecular Formula
C16H25N2O2
SMILES
CC(C)C1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)CC=C
InChI
InChI=1S/C16H24N2O2/c1-7-10-18(5,6)15-9-8-13(20-16(19)17-4)11-14(15)12(2)3/h7-9,11-12H,1,10H2,2-6H3/p+1
InChIKey
FSZNFGJXFBQTQO-UHFFFAOYSA-O
Compound name
dimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1916 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19888 165.1
[M+Na]+ 300.18082 170.5
[M-H]- 276.18432 170.2
[M+NH4]+ 295.22542 181.7
[M+K]+ 316.15476 163.3
[M+H-H2O]+ 260.18886 161.2
[M+HCOO]- 322.18980 187.7
[M+CH3COO]- 336.20545 202.8
[M+Na-2H]- 298.16627 170.2
[M]+ 277.19105 166.4
[M]- 277.19215 166.4
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.