CID 2396874

[(4-tert-butylphenyl)methyl](methyl)amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC
InChI
InChI=1S/C12H19N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKey
ZSHCHOYJMLEAOX-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

212
Patents

177.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.5
[M+Na]+ 200.14097 148.3
[M-H]- 176.14447 145.3
[M+NH4]+ 195.18557 162.0
[M+K]+ 216.11491 146.1
[M+H-H2O]+ 160.14901 136.1
[M+HCOO]- 222.14995 164.6
[M+CH3COO]- 236.16560 186.1
[M+Na-2H]- 198.12642 148.4
[M]+ 177.15120 141.6
[M]- 177.15230 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe