CID 10773656

105254-04-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.8
[M+Na]+ 200.140968 148.2
[M-H]- 176.144474 145.0
[M+NH4]+ 195.185573 161.8
[M+K]+ 216.114908 146.0
[M+H-H2O]+ 160.149010 136.8
[M+HCOO]- 222.149951 162.7
[M+CH3COO]- 236.165601 184.7
[M+Na-2H]- 198.126416 149.1
[M]+ 177.15120142 140.1
[M]- 177.15229858 140.1
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