CID 3020161

Einecs 284-250-8

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)CN2CCOCC2
InChI
InChI=1S/C16H25NO2/c1-12-9-13(11-17-5-7-19-8-6-17)10-14(15(12)18)16(2,3)4/h9-10,18H,5-8,11H2,1-4H3
InChIKey
NEXDPQSALYOYQZ-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-methyl-4-(morpholin-4-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.0
[M+Na]+ 286.17776 170.7
[M-H]- 262.18126 169.2
[M+NH4]+ 281.22236 178.8
[M+K]+ 302.15170 168.5
[M+H-H2O]+ 246.18580 157.7
[M+HCOO]- 308.18674 179.6
[M+CH3COO]- 322.20239 196.5
[M+Na-2H]- 284.16321 168.1
[M]+ 263.18799 163.3
[M]- 263.18909 163.3
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

patents stripe