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
5
Annotation Hits

15
References

2782
Patents

265.24057 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.247846 181.9
[M+Na]+ 288.229788 184.5
[M-H]- 264.233294 181.4
[M+NH4]+ 283.274393 198.7
[M+K]+ 304.203728 185.6
[M+H-H2O]+ 248.237830 171.7
[M+HCOO]- 310.238771 195.4
[M+CH3COO]- 324.254421 214.2
[M+Na-2H]- 286.215236 187.4
[M]+ 265.24002142 197.6
[M]- 265.24111858 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

literature stripe

Patent stripe

patents stripe