CID 15464

1667-16-9

Structural Information

Molecular Formula
C15H25N
SMILES
CCCCCCCCNCC1=CC=CC=C1
InChI
InChI=1S/C15H25N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3
InChIKey
VRYPROVLGPMATH-UHFFFAOYSA-N
Compound name
N-benzyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

221
Patents

219.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 155.3
[M+Na]+ 242.18792 159.2
[M-H]- 218.19142 157.6
[M+NH4]+ 237.23252 173.4
[M+K]+ 258.16186 155.8
[M+H-H2O]+ 202.19596 148.2
[M+HCOO]- 264.19690 178.9
[M+CH3COO]- 278.21255 194.4
[M+Na-2H]- 240.17337 160.6
[M]+ 219.19815 156.6
[M]- 219.19925 156.6
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.