CID 1622622

474002-61-4

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC(=CC(=C1)OCCN)C
InChI
InChI=1S/C10H15NO/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7H,3-4,11H2,1-2H3
InChIKey
ZNNZYMKIVDOTPM-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

165.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.6
[M+Na]+ 188.10459 143.6
[M-H]- 164.10809 139.2
[M+NH4]+ 183.14919 156.3
[M+K]+ 204.07853 141.6
[M+H-H2O]+ 148.11263 129.9
[M+HCOO]- 210.11357 160.5
[M+CH3COO]- 224.12922 182.8
[M+Na-2H]- 186.09004 141.1
[M]+ 165.11482 136.3
[M]- 165.11592 136.3
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