CID 20205

5-hydroxypentanal

Structural Information

Molecular Formula
C5H10O2
SMILES
C(CCO)CC=O
InChI
InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
InChIKey
CNRGMQRNYAIBTN-UHFFFAOYSA-N
Compound name
5-hydroxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2009
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 119.3
[M+Na]+ 125.05730 126.8
[M-H]- 101.06080 118.4
[M+NH4]+ 120.10190 141.9
[M+K]+ 141.03124 126.3
[M+H-H2O]+ 85.065340 115.3
[M+HCOO]- 147.06628 142.6
[M+CH3COO]- 161.08193 164.5
[M+Na-2H]- 123.04275 126.5
[M]+ 102.06753 120.5
[M]- 102.06863 120.5
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

patents stripe