CID 3051301

Vufb-10610

Structural Information

Molecular Formula
C18H25NO
SMILES
C1CCN(C1)COCC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C18H25NO/c1-2-10-19(9-1)13-20-12-18-16-7-3-5-14(16)11-15-6-4-8-17(15)18/h11H,1-10,12-13H2
InChIKey
TVAQRGHXXFHXON-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 168.3
[M+Na]+ 294.18282 173.2
[M-H]- 270.18632 174.6
[M+NH4]+ 289.22742 190.2
[M+K]+ 310.15676 169.0
[M+H-H2O]+ 254.19086 161.5
[M+HCOO]- 316.19180 186.4
[M+CH3COO]- 330.20745 179.1
[M+Na-2H]- 292.16827 165.8
[M]+ 271.19305 165.7
[M]- 271.19415 165.7
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.