CID 3752535

61501-04-0

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)(C)C(C1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10H,12H2,1-3H3
InChIKey
INGIGRKEXZOVTB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

163.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 138.0
[M+Na]+ 186.125318 144.1
[M-H]- 162.128824 141.1
[M+NH4]+ 181.169923 158.4
[M+K]+ 202.099258 142.2
[M+H-H2O]+ 146.133360 132.6
[M+HCOO]- 208.134301 159.8
[M+CH3COO]- 222.149951 182.0
[M+Na-2H]- 184.110766 143.8
[M]+ 163.13555142 135.7
[M]- 163.13664858 135.7
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