CID 12851223

2-methyl-4-phenylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)(CCC1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
InChIKey
PRJWYFPDHWJLEV-UHFFFAOYSA-N
Compound name
2-methyl-4-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

163.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.7
[M+Na]+ 186.125318 143.9
[M-H]- 162.128824 140.6
[M+NH4]+ 181.169923 158.0
[M+K]+ 202.099258 141.5
[M+H-H2O]+ 146.133360 132.2
[M+HCOO]- 208.134301 160.5
[M+CH3COO]- 222.149951 181.9
[M+Na-2H]- 184.110766 144.7
[M]+ 163.13555142 136.1
[M]- 163.13664858 136.1
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