CID 124203255

4-methoxy-n-(tert-pentyl)aniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CCC(C)(C)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H19NO/c1-5-12(2,3)13-10-6-8-11(14-4)9-7-10/h6-9,13H,5H2,1-4H3
InChIKey
WGOVXIJDXVPRGD-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-methylbutan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

193.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 144.8
[M+Na]+ 216.13589 151.5
[M-H]- 192.13939 148.5
[M+NH4]+ 211.18049 164.5
[M+K]+ 232.10983 149.7
[M+H-H2O]+ 176.14393 139.0
[M+HCOO]- 238.14487 168.1
[M+CH3COO]- 252.16052 188.8
[M+Na-2H]- 214.12134 151.7
[M]+ 193.14612 146.4
[M]- 193.14722 146.4
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