CID 69118288

1-(4-tert-butyl-2-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)(C)C1=CC(=C(C=C1)CN)OC
InChI
InChI=1S/C12H19NO/c1-12(2,3)10-6-5-9(8-13)11(7-10)14-4/h5-7H,8,13H2,1-4H3
InChIKey
FJPAKUVGOQEPNE-UHFFFAOYSA-N
Compound name
(4-tert-butyl-2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.1
[M+Na]+ 216.13589 152.8
[M-H]- 192.13939 148.7
[M+NH4]+ 211.18049 165.0
[M+K]+ 232.10983 150.8
[M+H-H2O]+ 176.14393 139.7
[M+HCOO]- 238.14487 167.8
[M+CH3COO]- 252.16052 188.6
[M+Na-2H]- 214.12134 150.2
[M]+ 193.14612 146.0
[M]- 193.14722 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

patents stripe