CID 15449

2-tridecanol

Structural Information

Molecular Formula
C13H28O
SMILES
CCCCCCCCCCCC(C)O
InChI
InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKey
HKOLRKVMHVYNGG-UHFFFAOYSA-N
Compound name
tridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1595
Patents

200.21402 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 155.4
[M+Na]+ 223.20324 159.1
[M-H]- 199.20674 153.1
[M+NH4]+ 218.24784 174.2
[M+K]+ 239.17718 157.1
[M+H-H2O]+ 183.21128 150.0
[M+HCOO]- 245.21222 174.6
[M+CH3COO]- 259.22787 188.5
[M+Na-2H]- 221.18869 156.9
[M]+ 200.21347 158.2
[M]- 200.21457 158.2
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