CID 99077

Aurate(1-), tetrachloro-, ammonium (1:1), (sp-4-1)-

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC(CCN1CCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H27NO/c1-2-12-21(17-23,13-16-22-14-5-6-15-22)20-11-7-9-18-8-3-4-10-19(18)20/h3-4,7-11,17H,2,5-6,12-16H2,1H3
InChIKey
LTWMXVBUSCANHY-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 179.0
[M+Na]+ 332.19848 183.4
[M-H]- 308.20198 183.7
[M+NH4]+ 327.24308 194.8
[M+K]+ 348.17242 177.9
[M+H-H2O]+ 292.20652 170.5
[M+HCOO]- 354.20746 196.1
[M+CH3COO]- 368.22311 206.4
[M+Na-2H]- 330.18393 181.5
[M]+ 309.20871 178.2
[M]- 309.20981 178.2
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.