CID 485396

Benzenemethanamine, n-heptyl-

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCCCCNCC1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3
InChIKey
ONCCNQMCFOIMAZ-UHFFFAOYSA-N
Compound name
N-benzylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

205.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 150.7
[M+Na]+ 228.17226 155.1
[M-H]- 204.17576 153.2
[M+NH4]+ 223.21686 169.5
[M+K]+ 244.14620 151.9
[M+H-H2O]+ 188.18030 143.8
[M+HCOO]- 250.18124 174.7
[M+CH3COO]- 264.19689 191.4
[M+Na-2H]- 226.15771 156.6
[M]+ 205.18249 151.7
[M]- 205.18359 151.7
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.