CID 3010149

1-[?]ylethanamine

Structural Information

Molecular Formula
C13H23N
SMILES
CC(C12CCC3CC(C1)CC(C3)C2)N
InChI
InChI=1S/C13H23N/c1-9(14)13-3-2-10-4-11(7-13)6-12(5-10)8-13/h9-12H,2-8,14H2,1H3
InChIKey
XPVXFBWWQWDXGZ-UHFFFAOYSA-N
Compound name
1-(3-tricyclo[4.3.1.13,8]undecanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 156.1
[M+Na]+ 216.172258 162.2
[M-H]- 192.175764 156.5
[M+NH4]+ 211.216863 178.9
[M+K]+ 232.146198 156.3
[M+H-H2O]+ 176.180300 156.9
[M+HCOO]- 238.181241 163.8
[M+CH3COO]- 252.196891 164.5
[M+Na-2H]- 214.157706 164.3
[M]+ 193.18249142 152.3
[M]- 193.18358858 152.3
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

No patent data available for this compound.