CID 23335

(-)-caaverine

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)O
InChI
InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
InChIKey
DUSFBAYEYGRYOT-CYBMUJFWSA-N
Compound name
(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

267.12592 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.1
[M+Na]+ 290.11514 167.5
[M-H]- 266.11864 161.2
[M+NH4]+ 285.15974 177.2
[M+K]+ 306.08908 161.5
[M+H-H2O]+ 250.12318 152.2
[M+HCOO]- 312.12412 172.8
[M+CH3COO]- 326.13977 170.1
[M+Na-2H]- 288.10059 167.0
[M]+ 267.12537 157.7
[M]- 267.12647 157.7
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