CID 103691

52794-34-0

Structural Information

Molecular Formula
C18H27N
SMILES
C1CC2CC1C3C2C4CC3C5C4C6CC5CC6CN
InChI
InChI=1S/C18H27N/c19-7-11-4-10-5-12(11)18-14-6-13(17(10)18)15-8-1-2-9(3-8)16(14)15/h8-18H,1-7,19H2
InChIKey
RIZITHXTPOYYMA-UHFFFAOYSA-N
Compound name
4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecanylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 168.2
[M+Na]+ 280.20358 173.9
[M-H]- 256.20708 172.5
[M+NH4]+ 275.24818 199.7
[M+K]+ 296.17752 168.9
[M+H-H2O]+ 240.21162 168.2
[M+HCOO]- 302.21256 182.3
[M+CH3COO]- 316.22821 178.6
[M+Na-2H]- 278.18903 160.8
[M]+ 257.21381 166.2
[M]- 257.21491 166.2
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.