CID 15719642

Spiro[5.5]undecan-3-amine hydrochloride

Structural Information

Molecular Formula
C11H21N
SMILES
C1CCC2(CC1)CCC(CC2)N
InChI
InChI=1S/C11H21N/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h10H,1-9,12H2
InChIKey
BAERJJQGHJOXHR-UHFFFAOYSA-N
Compound name
spiro[5.5]undecan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

69
Patents

167.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 140.4
[M+Na]+ 190.156618 142.8
[M-H]- 166.160124 143.9
[M+NH4]+ 185.201223 162.0
[M+K]+ 206.130558 140.5
[M+H-H2O]+ 150.164660 134.2
[M+HCOO]- 212.165601 157.4
[M+CH3COO]- 226.181251 179.2
[M+Na-2H]- 188.142066 144.7
[M]+ 167.16685142 129.0
[M]- 167.16794858 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe