CID 11005

Tetradecanoic acid

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKey
TUNFSRHWOTWDNC-UHFFFAOYSA-N
Compound name
tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2581
References

72710
Patents

228.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 161.3
[M+Na]+ 251.19814 164.9
[M-H]- 227.20164 158.8
[M+NH4]+ 246.24274 178.8
[M+K]+ 267.17208 162.4
[M+H-H2O]+ 211.20618 155.5
[M+HCOO]- 273.20712 180.7
[M+CH3COO]- 287.22277 192.5
[M+Na-2H]- 249.18359 162.3
[M]+ 228.20837 165.3
[M]- 228.20947 165.3
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