CID 410202

51062-15-8

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(CCC1=CC=C(C=C1)OC)N
InChI
InChI=1S/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKey
JMHAKVPFYWWNOW-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

139
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.2
[M+Na]+ 202.120228 147.6
[M-H]- 178.123734 144.3
[M+NH4]+ 197.164833 161.0
[M+K]+ 218.094168 145.8
[M+H-H2O]+ 162.128270 135.1
[M+HCOO]- 224.129211 164.8
[M+CH3COO]- 238.144861 185.5
[M+Na-2H]- 200.105676 145.6
[M]+ 179.13046142 141.3
[M]- 179.13155858 141.3
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