CID 88498

20347-56-2

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)OC(=O)NC
InChI
InChI=1S/C15H24N2O2/c1-10(2)12-9-13(17(5,6)7)11(3)8-14(12)19-15(18)16-4/h8-10H,1-7H3/p+1
InChIKey
RZKVFHAFCBUKMR-UHFFFAOYSA-O
Compound name
trimethyl-[2-methyl-4-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

265.1916 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.198876 160.7
[M+Na]+ 288.180818 167.2
[M-H]- 264.184324 166.4
[M+NH4]+ 283.225423 178.3
[M+K]+ 304.154758 161.0
[M+H-H2O]+ 248.188860 157.4
[M+HCOO]- 310.189801 183.5
[M+CH3COO]- 324.205451 202.1
[M+Na-2H]- 286.166266 165.8
[M]+ 265.19105142 162.8
[M]- 265.19214858 162.8
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.