CID 76969111

Myrtecaine

Structural Information

Molecular Formula
C17H31NO
SMILES
CCN(CC)CCOCCC1=CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3/t15-,16-/m0/s1
InChIKey
BZRYYBWNOUALTQ-HOTGVXAUSA-N
Compound name
2-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

2763
Patents

265.24057 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.24785 181.9
[M+Na]+ 288.22979 184.5
[M-H]- 264.23329 181.4
[M+NH4]+ 283.27439 198.7
[M+K]+ 304.20373 185.6
[M+H-H2O]+ 248.23783 171.7
[M+HCOO]- 310.23877 195.4
[M+CH3COO]- 324.25442 214.2
[M+Na-2H]- 286.21524 187.4
[M]+ 265.24002 197.6
[M]- 265.24112 197.6
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.