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]+ 236.23728 160.5
[M+Na]+ 258.21922 167.1
[M-H]- 234.22272 162.7
[M+NH4]+ 253.26382 184.2
[M+K]+ 274.19316 163.5
[M+H-H2O]+ 218.22726 156.3
[M+HCOO]- 280.22820 177.9
[M+CH3COO]- 294.24385 201.4
[M+Na-2H]- 256.20467 160.2
[M]+ 235.22945 159.3
[M]- 235.23055 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.