CID 45789

63977-47-9

Structural Information

Molecular Formula
C14H24NO2
SMILES
CC(CC1=C(C=CC(=C1)OC)OC)[N+](C)(C)C
InChI
InChI=1S/C14H24NO2/c1-11(15(2,3)4)9-12-10-13(16-5)7-8-14(12)17-6/h7-8,10-11H,9H2,1-6H3/q+1
InChIKey
KSXDWMYNAJIWPN-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)propan-2-yl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.18071 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18799 154.6
[M+Na]+ 261.16993 161.4
[M-H]- 237.17343 160.0
[M+NH4]+ 256.21453 173.4
[M+K]+ 277.14387 155.4
[M+H-H2O]+ 221.17797 151.4
[M+HCOO]- 283.17891 177.5
[M+CH3COO]- 297.19456 194.7
[M+Na-2H]- 259.15538 161.6
[M]+ 238.18016 158.3
[M]- 238.18126 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.