CID 492930

(2s)-6,7-diethyl-2-isopropyl-5-methyl-bicyclo[3.2.1]oct-6-en-8-amine

Structural Information

Molecular Formula
C16H29N
SMILES
CCC1=C(C2(CC[C@H](C1C2N)C(C)C)C)CC
InChI
InChI=1S/C16H29N/c1-6-11-13(7-2)16(5)9-8-12(10(3)4)14(11)15(16)17/h10,12,14-15H,6-9,17H2,1-5H3/t12-,14?,15?,16?/m0/s1
InChIKey
ZCQASXMGAGNZLS-SFLNLBOUSA-N
Compound name
(4S)-6,7-diethyl-1-methyl-4-propan-2-ylbicyclo[3.2.1]oct-6-en-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.23 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 160.5
[M+Na]+ 258.219218 167.1
[M-H]- 234.222724 162.7
[M+NH4]+ 253.263823 184.2
[M+K]+ 274.193158 163.5
[M+H-H2O]+ 218.227260 156.3
[M+HCOO]- 280.228201 177.9
[M+CH3COO]- 294.243851 201.4
[M+Na-2H]- 256.204666 160.2
[M]+ 235.22945142 159.3
[M]- 235.23054858 159.3
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.