CID 156022666

93660-75-4

Structural Information

Molecular Formula
C14H21N
SMILES
CCN[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/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-AGGDRMEASA-N
Compound name
(3R,4R,5S,6S,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]+ 204.174676 145.0
[M+Na]+ 226.156618 150.6
[M-H]- 202.160124 147.1
[M+NH4]+ 221.201223 180.3
[M+K]+ 242.130558 147.4
[M+H-H2O]+ 186.164660 144.6
[M+HCOO]- 248.165601 160.9
[M+CH3COO]- 262.181251 157.0
[M+Na-2H]- 224.142066 144.7
[M]+ 203.16685142 152.1
[M]- 203.16794858 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.