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]+ 222.18524 155.0
[M+Na]+ 244.16718 160.8
[M-H]- 220.17068 158.0
[M+NH4]+ 239.21178 173.4
[M+K]+ 260.14112 158.8
[M+H-H2O]+ 204.17522 148.7
[M+HCOO]- 266.17616 176.6
[M+CH3COO]- 280.19181 196.7
[M+Na-2H]- 242.15263 155.8
[M]+ 221.17741 155.9
[M]- 221.17851 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.