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]+ 194.19032 156.1
[M+Na]+ 216.17226 162.2
[M-H]- 192.17576 156.5
[M+NH4]+ 211.21686 178.9
[M+K]+ 232.14620 156.3
[M+H-H2O]+ 176.18030 156.9
[M+HCOO]- 238.18124 163.8
[M+CH3COO]- 252.19689 164.5
[M+Na-2H]- 214.15771 164.3
[M]+ 193.18249 152.3
[M]- 193.18359 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.