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

0
Patents

265.1916 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19888 160.7
[M+Na]+ 288.18082 167.2
[M-H]- 264.18432 166.4
[M+NH4]+ 283.22542 178.3
[M+K]+ 304.15476 161.0
[M+H-H2O]+ 248.18886 157.4
[M+HCOO]- 310.18980 183.5
[M+CH3COO]- 324.20545 202.1
[M+Na-2H]- 286.16627 165.8
[M]+ 265.19105 162.8
[M]- 265.19215 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.