CID 3068093

Vufb-12267

Structural Information

Molecular Formula
C16H23N
SMILES
CC(C)(CC1=C2CCCC2=CC3=C1CCC3)N
InChI
InChI=1S/C16H23N/c1-16(2,17)10-15-13-7-3-5-11(13)9-12-6-4-8-14(12)15/h9H,3-8,10,17H2,1-2H3
InChIKey
YPOBTYVJWMAUEG-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 157.4
[M+Na]+ 252.17226 163.8
[M-H]- 228.17576 162.0
[M+NH4]+ 247.21686 180.9
[M+K]+ 268.14620 159.4
[M+H-H2O]+ 212.18030 152.6
[M+HCOO]- 274.18124 176.7
[M+CH3COO]- 288.19689 195.1
[M+Na-2H]- 250.15771 159.6
[M]+ 229.18249 154.6
[M]- 229.18359 154.6
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.