CID 199020

3626-53-7

Structural Information

Molecular Formula
C13H20NO
SMILES
CC1C(OCC[N+]1(C)C)C2=CC=CC=C2
InChI
InChI=1S/C13H20NO/c1-11-13(12-7-5-4-6-8-12)15-10-9-14(11,2)3/h4-8,11,13H,9-10H2,1-3H3/q+1
InChIKey
PFKIWOYLXHAEFJ-UHFFFAOYSA-N
Compound name
3,4,4-trimethyl-2-phenylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.1545 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16178 145.7
[M+Na]+ 229.14372 152.5
[M-H]- 205.14722 151.8
[M+NH4]+ 224.18832 164.1
[M+K]+ 245.11766 145.6
[M+H-H2O]+ 189.15176 141.4
[M+HCOO]- 251.15270 163.8
[M+CH3COO]- 265.16835 179.9
[M+Na-2H]- 227.12917 154.2
[M]+ 206.15395 142.2
[M]- 206.15505 142.2
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.