CID 62308858

[4-methyl-2-(pentyloxy)phenyl]methanamine

Structural Information

Molecular Formula
C13H21NO
SMILES
CCCCCOC1=C(C=CC(=C1)C)CN
InChI
InChI=1S/C13H21NO/c1-3-4-5-8-15-13-9-11(2)6-7-12(13)10-14/h6-7,9H,3-5,8,10,14H2,1-2H3
InChIKey
GTUWGUTWNGVAJN-UHFFFAOYSA-N
Compound name
(4-methyl-2-pentoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 149.5
[M+Na]+ 230.151528 156.3
[M-H]- 206.155034 152.5
[M+NH4]+ 225.196133 168.5
[M+K]+ 246.125468 153.5
[M+H-H2O]+ 190.159570 143.1
[M+HCOO]- 252.160511 173.4
[M+CH3COO]- 266.176161 191.9
[M+Na-2H]- 228.136976 153.4
[M]+ 207.16176142 151.4
[M]- 207.16285858 151.4
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.