CID 511454

3-amino-4-homoisotwistane

Structural Information

Molecular Formula
C11H19N
SMILES
C1CC2CC3CCC2C(C1)(C3)N
InChI
InChI=1S/C11H19N/c12-11-5-1-2-9-6-8(7-11)3-4-10(9)11/h8-10H,1-7,12H2
InChIKey
HBQIEQAURBDCQB-UHFFFAOYSA-N
Compound name
tricyclo[5.3.1.03,8]undecan-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

39
Patents

165.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 135.0
[M+Na]+ 188.140968 137.7
[M-H]- 164.144474 132.9
[M+NH4]+ 183.185573 161.3
[M+K]+ 204.114908 134.5
[M+H-H2O]+ 148.149010 129.1
[M+HCOO]- 210.149951 145.0
[M+CH3COO]- 224.165601 145.1
[M+Na-2H]- 186.126416 145.1
[M]+ 165.15120142 129.6
[M]- 165.15229858 129.6
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