CID 87744

18659-39-7

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CC(C)C1=CC(=CC(=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C14H22N2O2/c1-10(2)11-7-12(16(4,5)6)9-13(8-11)18-14(17)15-3/h7-10H,1-6H3/p+1
InChIKey
GVMAZCMPRDGBMX-UHFFFAOYSA-O
Compound name
trimethyl-[3-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.18323 156.9
[M+Na]+ 274.16517 162.9
[M-H]- 250.16867 162.4
[M+NH4]+ 269.20977 174.7
[M+K]+ 290.13911 156.8
[M+H-H2O]+ 234.17321 153.4
[M+HCOO]- 296.17415 180.0
[M+CH3COO]- 310.18980 197.8
[M+Na-2H]- 272.15062 163.1
[M]+ 251.17540 158.3
[M]- 251.17650 158.3
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.