CID 62308680

{4-methyl-2-[(4-methylpentan-2-yl)oxy]phenyl}methanamine

Structural Information

Molecular Formula
C14H23NO
SMILES
CC1=CC(=C(C=C1)CN)OC(C)CC(C)C
InChI
InChI=1S/C14H23NO/c1-10(2)7-12(4)16-14-8-11(3)5-6-13(14)9-15/h5-6,8,10,12H,7,9,15H2,1-4H3
InChIKey
QIVGGTZUHXVDAD-UHFFFAOYSA-N
Compound name
[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.185236 155.0
[M+Na]+ 244.167178 160.8
[M-H]- 220.170684 158.0
[M+NH4]+ 239.211783 173.4
[M+K]+ 260.141118 158.8
[M+H-H2O]+ 204.175220 148.7
[M+HCOO]- 266.176161 176.6
[M+CH3COO]- 280.191811 196.7
[M+Na-2H]- 242.152626 155.8
[M]+ 221.17741142 155.9
[M]- 221.17850858 155.9
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.