CID 28451109

2-methoxy-5-methyl-n-(2-methylpropyl)aniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=CC(=C(C=C1)OC)NCC(C)C
InChI
InChI=1S/C12H19NO/c1-9(2)8-13-11-7-10(3)5-6-12(11)14-4/h5-7,9,13H,8H2,1-4H3
InChIKey
NBGFDMITGNTYIB-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 144.8
[M+Na]+ 216.135888 151.6
[M-H]- 192.139394 148.6
[M+NH4]+ 211.180493 164.6
[M+K]+ 232.109828 150.0
[M+H-H2O]+ 176.143930 138.7
[M+HCOO]- 238.144871 168.6
[M+CH3COO]- 252.160521 190.4
[M+Na-2H]- 214.121336 149.0
[M]+ 193.14612142 146.6
[M]- 193.14721858 146.6
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