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]+ 230.19032 157.1
[M+Na]+ 252.17226 162.7
[M-H]- 228.17576 161.9
[M+NH4]+ 247.21686 180.6
[M+K]+ 268.14620 158.6
[M+H-H2O]+ 212.18030 151.5
[M+HCOO]- 274.18124 177.6
[M+CH3COO]- 288.19689 169.0
[M+Na-2H]- 250.15771 158.2
[M]+ 229.18249 155.0
[M]- 229.18359 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.