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]+ 194.15395 145.1
[M+Na]+ 216.13589 157.0
[M+NH4]+ 211.18049 153.5
[M+K]+ 232.10983 150.9
[M-H]- 192.13939 147.5
[M+Na-2H]- 214.12134 151.4
[M]+ 193.14612 147.5
[M]- 193.14722 147.5
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.