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
1
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]+ 220.205976 155.3
[M+Na]+ 242.187918 159.2
[M-H]- 218.191424 157.6
[M+NH4]+ 237.232523 173.4
[M+K]+ 258.161858 155.8
[M+H-H2O]+ 202.195960 148.2
[M+HCOO]- 264.196901 178.9
[M+CH3COO]- 278.212551 194.4
[M+Na-2H]- 240.173366 160.6
[M]+ 219.19815142 156.6
[M]- 219.19924858 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

literature stripe

Patent stripe

patents stripe