CID 3068088

Vufb-12266

Structural Information

Molecular Formula
C16H23N
SMILES
CC(CC1=C2CCCC2=CC3=C1CCC3)NC
InChI
InChI=1S/C16H23N/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16/h10-11,17H,3-9H2,1-2H3
InChIKey
XGQVVLYMEYREAZ-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine
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]+ 230.190316 157.1
[M+Na]+ 252.172258 162.7
[M-H]- 228.175764 161.9
[M+NH4]+ 247.216863 180.6
[M+K]+ 268.146198 158.6
[M+H-H2O]+ 212.180300 151.5
[M+HCOO]- 274.181241 177.6
[M+CH3COO]- 288.196891 169.0
[M+Na-2H]- 250.157706 158.2
[M]+ 229.18249142 155.0
[M]- 229.18358858 155.0
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.