CID 76249

2939-66-4

Structural Information

Molecular Formula
C19H23NO
SMILES
CNCCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C19H23NO/c1-20-14-6-13-19(21)17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)19/h2-5,7-10,20-21H,6,11-14H2,1H3
InChIKey
VGYXEZXCFKVWAP-UHFFFAOYSA-N
Compound name
2-[3-(methylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.17798 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 166.6
[M+Na]+ 304.167198 172.1
[M-H]- 280.170704 171.5
[M+NH4]+ 299.211803 184.7
[M+K]+ 320.141138 170.2
[M+H-H2O]+ 264.175240 161.2
[M+HCOO]- 326.176181 185.3
[M+CH3COO]- 340.191831 177.0
[M+Na-2H]- 302.152646 173.7
[M]+ 281.17743142 163.1
[M]- 281.17852858 163.1
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