CID 66676

Tastromine

Structural Information

Molecular Formula
C14H23NO
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCN(C)C
InChI
InChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKey
MZPZTGNMUWMDBQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

24
Patents

221.17796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 153.7
[M+Na]+ 244.16718 159.9
[M-H]- 220.17068 158.7
[M+NH4]+ 239.21178 173.0
[M+K]+ 260.14112 159.2
[M+H-H2O]+ 204.17522 147.1
[M+HCOO]- 266.17616 177.4
[M+CH3COO]- 280.19181 200.0
[M+Na-2H]- 242.15263 156.1
[M]+ 221.17741 157.6
[M]- 221.17851 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe