CID 130136

79896-22-3

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(CC1=CC(=CC=C1)OC)NC
InChI
InChI=1S/C11H17NO/c1-9(12-2)7-10-5-4-6-11(8-10)13-3/h4-6,8-9,12H,7H2,1-3H3
InChIKey
USQWRDRXXKZFDI-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

174
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.6
[M+Na]+ 202.12023 152.6
[M+NH4]+ 197.16483 149.4
[M+K]+ 218.09417 145.9
[M-H]- 178.12373 143.6
[M+Na-2H]- 200.10568 147.6
[M]+ 179.13046 143.1
[M]- 179.13156 143.1
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