CID 3968

Ly-231617

Structural Information

Molecular Formula
C17H29NO
SMILES
CCNCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C17H29NO/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7/h9-10,18-19H,8,11H2,1-7H3
InChIKey
WQNYIWJBDGLKEB-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(ethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

29
Patents

263.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.23218 166.8
[M+Na]+ 286.21412 173.4
[M-H]- 262.21762 169.4
[M+NH4]+ 281.25872 183.9
[M+K]+ 302.18806 170.3
[M+H-H2O]+ 246.22216 161.7
[M+HCOO]- 308.22310 185.3
[M+CH3COO]- 322.23875 202.9
[M+Na-2H]- 284.19957 170.2
[M]+ 263.22435 168.5
[M]- 263.22545 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe