CID 3068081

Vufb-10710

Structural Information

Molecular Formula
C16H23N
SMILES
CN(C)CCC1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C16H23N/c1-17(2)10-9-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16/h11H,3-10H2,1-2H3
InChIKey
OKTGTDQHDFZNAX-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 155.2
[M+Na]+ 252.17226 165.4
[M+NH4]+ 247.21686 165.9
[M+K]+ 268.14620 161.0
[M-H]- 228.17576 159.1
[M+Na-2H]- 250.15771 159.0
[M]+ 229.18249 157.7
[M]- 229.18359 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.