CID 50988085

2-[4-(2-methylpropoxy)phenyl]propan-2-amine hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)COC1=CC=C(C=C1)C(C)(C)N
InChI
InChI=1S/C13H21NO/c1-10(2)9-15-12-7-5-11(6-8-12)13(3,4)14/h5-8,10H,9,14H2,1-4H3
InChIKey
UOJUPOMVRPWNCV-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 150.1
[M+Na]+ 230.15153 156.0
[M-H]- 206.15503 153.1
[M+NH4]+ 225.19613 168.8
[M+K]+ 246.12547 154.2
[M+H-H2O]+ 190.15957 144.2
[M+HCOO]- 252.16051 171.4
[M+CH3COO]- 266.17616 192.0
[M+Na-2H]- 228.13698 154.1
[M]+ 207.16176 150.4
[M]- 207.16286 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.