CID 13085557

Fibronectin

Structural Information

Molecular Formula
C7H14O3
SMILES
C[C@@H](CCCC(=O)OC)O
InChI
InChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
KBKUVMOUCKJDBE-LURJTMIESA-N
Compound name
methyl (5S)-5-hydroxyhexanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26812
References

0
Patents

146.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 132.4
[M+Na]+ 169.083518 138.7
[M-H]- 145.087024 131.3
[M+NH4]+ 164.128123 153.2
[M+K]+ 185.057458 139.1
[M+H-H2O]+ 129.091560 127.9
[M+HCOO]- 191.092501 153.4
[M+CH3COO]- 205.108151 173.6
[M+Na-2H]- 167.068966 136.0
[M]+ 146.09375142 134.5
[M]- 146.09484858 134.5
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

No patent data available for this compound.