CID 43509379

3-[(tert-butoxy)methyl]-2-methylaniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=C(C=CC=C1N)COC(C)(C)C
InChI
InChI=1S/C12H19NO/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKey
AGRRAFIZIRFXQL-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.1
[M+Na]+ 216.135888 152.8
[M-H]- 192.139394 148.7
[M+NH4]+ 211.180493 165.0
[M+K]+ 232.109828 150.8
[M+H-H2O]+ 176.143930 139.7
[M+HCOO]- 238.144871 167.8
[M+CH3COO]- 252.160521 188.6
[M+Na-2H]- 214.121336 150.2
[M]+ 193.14612142 146.0
[M]- 193.14721858 146.0
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

No patent data available for this compound.