CID 131801220

Chebi:139161

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1(COC1)CN(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H21NO2/c1-14(10-17-11-14)9-15(2)8-12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey
PHGMVEPLTMCGOB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 153.2
[M+Na]+ 258.14645 157.8
[M-H]- 234.14995 161.4
[M+NH4]+ 253.19105 165.5
[M+K]+ 274.12039 161.4
[M+H-H2O]+ 218.15449 141.4
[M+HCOO]- 280.15543 175.3
[M+CH3COO]- 294.17108 200.4
[M+Na-2H]- 256.13190 159.1
[M]+ 235.15668 165.1
[M]- 235.15778 165.1
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.