CID 12283205

2-(3-methoxyphenyl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(CN)C1=CC(=CC=C1)OC
InChI
InChI=1S/C11H17NO/c1-11(2,8-12)9-5-4-6-10(7-9)13-3/h4-7H,8,12H2,1-3H3
InChIKey
LEQBGWPHAHMWCW-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

179.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.7
[M+Na]+ 202.12023 147.8
[M-H]- 178.12373 144.0
[M+NH4]+ 197.16483 160.7
[M+K]+ 218.09417 146.0
[M+H-H2O]+ 162.12827 135.2
[M+HCOO]- 224.12921 163.7
[M+CH3COO]- 238.14486 185.0
[M+Na-2H]- 200.10568 147.1
[M]+ 179.13046 141.0
[M]- 179.13156 141.0
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