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 157.2
[M+Na]+ 252.17226 163.2
[M-H]- 228.17576 163.3
[M+NH4]+ 247.21686 181.4
[M+K]+ 268.14620 159.9
[M+H-H2O]+ 212.18030 151.3
[M+HCOO]- 274.18124 179.1
[M+CH3COO]- 288.19689 169.7
[M+Na-2H]- 250.15771 158.6
[M]+ 229.18249 156.9
[M]- 229.18359 156.9
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.