CID 67320

3-nonylphenol

Structural Information

Molecular Formula
C15H24O
SMILES
CCCCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h9,11-13,16H,2-8,10H2,1H3
InChIKey
QWGLNWHWBCINBS-UHFFFAOYSA-N
Compound name
3-nonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1491
Patents

220.18271 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.9
[M+Na]+ 243.17193 160.3
[M-H]- 219.17543 156.3
[M+NH4]+ 238.21653 173.0
[M+K]+ 259.14587 156.5
[M+H-H2O]+ 203.17997 148.6
[M+HCOO]- 265.18091 176.2
[M+CH3COO]- 279.19656 190.0
[M+Na-2H]- 241.15738 158.7
[M]+ 220.18216 156.9
[M]- 220.18326 156.9
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