CID 28489830

4-methoxy-n-(3-methylbutyl)aniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)CCNC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H19NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKey
FSJPCHUXEINIFX-UHFFFAOYSA-N
Compound name
4-methoxy-N-(3-methylbutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.3
[M+Na]+ 216.135888 151.2
[M-H]- 192.139394 148.7
[M+NH4]+ 211.180493 164.8
[M+K]+ 232.109828 149.5
[M+H-H2O]+ 176.143930 138.9
[M+HCOO]- 238.144871 169.1
[M+CH3COO]- 252.160521 189.2
[M+Na-2H]- 214.121336 150.2
[M]+ 193.14612142 146.7
[M]- 193.14721858 146.7
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