CID 56843485

93660-80-1

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCN[C@@H]1[C@@H]2[C@@H]3[C@@H]4[C@@]1(C5C2C[C@H]3[C@@H]5C4)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-ULVJUAPPSA-N
Compound name
(1S,3R,4R,5S,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]+ 232.20598 153.7
[M+Na]+ 254.18792 158.4
[M-H]- 230.19142 155.5
[M+NH4]+ 249.23252 187.9
[M+K]+ 270.16186 154.9
[M+H-H2O]+ 214.19596 153.0
[M+HCOO]- 276.19690 168.9
[M+CH3COO]- 290.21255 164.9
[M+Na-2H]- 252.17337 152.4
[M]+ 231.19815 161.2
[M]- 231.19925 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.