CID 63558604

[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=CC(=C(C=C1)CN)OC2CCOC2
InChI
InChI=1S/C12H17NO2/c1-9-2-3-10(7-13)12(6-9)15-11-4-5-14-8-11/h2-3,6,11H,4-5,7-8,13H2,1H3
InChIKey
IMQLXVLZHXSWBM-UHFFFAOYSA-N
Compound name
[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.1
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 152.9
[M+NH4]+ 225.15975 165.1
[M+K]+ 246.08909 151.2
[M+H-H2O]+ 190.12319 139.7
[M+HCOO]- 252.12413 169.0
[M+CH3COO]- 266.13978 187.1
[M+Na-2H]- 228.10060 149.7
[M]+ 207.12538 145.0
[M]- 207.12648 145.0
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.