CID 3045436

60706-23-2

Structural Information

Molecular Formula
C13H28N
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)[N+](C)(C)C)C(C)C
InChI
InChI=1S/C13H28N/c1-10(2)12-8-7-11(3)9-13(12)14(4,5)6/h10-13H,7-9H2,1-6H3/q+1/t11-,12+,13-/m1/s1
InChIKey
FHEFFUWDAISXAL-FRRDWIJNSA-N
Compound name
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.22217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.22945 146.5
[M+Na]+ 221.21139 150.8
[M-H]- 197.21489 151.1
[M+NH4]+ 216.25599 166.8
[M+K]+ 237.18533 144.9
[M+H-H2O]+ 181.21943 144.2
[M+HCOO]- 243.22037 165.0
[M+CH3COO]- 257.23602 189.0
[M+Na-2H]- 219.19684 151.1
[M]+ 198.22162 142.7
[M]- 198.22272 142.7
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.