CID 216413

94266-17-8

Structural Information

Molecular Formula
C16H26N2O
SMILES
CC1=CC(=CC(=C1CC(=O)NCCN)C)C(C)(C)C
InChI
InChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15(19)18-7-6-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKey
ZETWQXPEVKRTDM-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

262.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 166.5
[M+Na]+ 285.19372 172.6
[M-H]- 261.19722 169.7
[M+NH4]+ 280.23832 183.3
[M+K]+ 301.16766 169.6
[M+H-H2O]+ 245.20176 160.2
[M+HCOO]- 307.20270 187.9
[M+CH3COO]- 321.21835 206.3
[M+Na-2H]- 283.17917 167.8
[M]+ 262.20395 167.0
[M]- 262.20505 167.0
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

patents stripe