CID 56843483

93660-75-4

Structural Information

Molecular Formula
C14H21N
SMILES
CCN[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/C14H21N/c1-3-15-13-11-8-4-6-7-5-9(10(6)11)14(13,2)12(7)8/h6-13,15H,3-5H2,1-2H3/t6-,7-,8?,9+,10-,11-,12?,13+,14+/m0/s1
InChIKey
PICQZWRBGKFMON-WVUZZFRHSA-N
Compound name
(1S,3R,4R,5S,8S,9S,10R)-N-ethyl-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

203.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 145.0
[M+Na]+ 226.15662 150.6
[M-H]- 202.16012 147.1
[M+NH4]+ 221.20122 180.3
[M+K]+ 242.13056 147.4
[M+H-H2O]+ 186.16466 144.6
[M+HCOO]- 248.16560 160.9
[M+CH3COO]- 262.18125 157.0
[M+Na-2H]- 224.14207 144.7
[M]+ 203.16685 152.1
[M]- 203.16795 152.1
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.