CID 91816

N-(2-ethylhexyl)naphthalen-2-amine

Structural Information

Molecular Formula
C18H25N
SMILES
CCCCC(CC)CNC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3
InChIKey
PEIBVKBWHHZYQC-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.1987 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 163.6
[M+Na]+ 278.18792 168.3
[M-H]- 254.19142 167.0
[M+NH4]+ 273.23252 181.3
[M+K]+ 294.16186 163.8
[M+H-H2O]+ 238.19596 156.2
[M+HCOO]- 300.19690 185.0
[M+CH3COO]- 314.21255 202.7
[M+Na-2H]- 276.17337 168.5
[M]+ 255.19815 164.4
[M]- 255.19925 164.4
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

patents stripe