CID 3025043

Erl 389

Structural Information

Molecular Formula
C16H30N2O
SMILES
CCN(CC)CC(=O)NC1(C2CCC(C2)C1(C)C)C
InChI
InChI=1S/C16H30N2O/c1-6-18(7-2)11-14(19)17-16(5)13-9-8-12(10-13)15(16,3)4/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKey
OEAKSUZXXJIACJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.2358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.24308 166.9
[M+Na]+ 289.22502 172.0
[M-H]- 265.22852 170.5
[M+NH4]+ 284.26962 192.8
[M+K]+ 305.19896 170.1
[M+H-H2O]+ 249.23306 162.9
[M+HCOO]- 311.23400 187.5
[M+CH3COO]- 325.24965 208.4
[M+Na-2H]- 287.21047 168.1
[M]+ 266.23525 168.2
[M]- 266.23635 168.2
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