CID 4917719

[2-(mesityloxy)ethyl]amine hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC(=C(C(=C1)C)OCCN)C
InChI
InChI=1S/C11H17NO/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7H,4-5,12H2,1-3H3
InChIKey
NWFGWNKUWSKFLT-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 139.8
[M+Na]+ 202.12023 148.4
[M-H]- 178.12373 143.6
[M+NH4]+ 197.16483 160.4
[M+K]+ 218.09417 146.2
[M+H-H2O]+ 162.12827 134.2
[M+HCOO]- 224.12921 164.4
[M+CH3COO]- 238.14486 187.0
[M+Na-2H]- 200.10568 144.1
[M]+ 179.13046 141.4
[M]- 179.13156 141.4
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

patents stripe