CID 156022667

93660-80-1

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]5[C@@]1(C3C4C5)C
InChI
InChI=1S/C16H25N/c1-3-4-5-17-15-13-10-6-8-9-7-11(12(8)13)16(15,2)14(9)10/h8-15,17H,3-7H2,1-2H3/t8-,9?,10+,11+,12-,13-,14?,15+,16+/m0/s1
InChIKey
LRNABWCLYGWJSN-UABICDHUSA-N
Compound name
(3R,4R,5S,6S,8S,9S,10R)-N-butyl-3-methylpentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 153.7
[M+Na]+ 254.187918 158.4
[M-H]- 230.191424 155.5
[M+NH4]+ 249.232523 187.9
[M+K]+ 270.161858 154.9
[M+H-H2O]+ 214.195960 153.0
[M+HCOO]- 276.196901 168.9
[M+CH3COO]- 290.212551 164.9
[M+Na-2H]- 252.173366 152.4
[M]+ 231.19815142 161.2
[M]- 231.19924858 161.2
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.