CID 9880217

3-methyl-2-phenylbutan-1-amine

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)C(CN)C1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3
InChIKey
VDMAQVANUGNDOM-UHFFFAOYSA-N
Compound name
3-methyl-2-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

157
Patents

163.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 138.8
[M+Na]+ 186.12532 144.0
[M-H]- 162.12882 141.6
[M+NH4]+ 181.16992 158.9
[M+K]+ 202.09926 142.2
[M+H-H2O]+ 146.13336 132.8
[M+HCOO]- 208.13430 161.1
[M+CH3COO]- 222.14995 183.3
[M+Na-2H]- 184.11077 142.7
[M]+ 163.13555 136.4
[M]- 163.13665 136.4
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