CID 3485

Glutaraldehyde

Structural Information

Molecular Formula
C5H8O2
SMILES
C(CC=O)CC=O
InChI
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChIKey
SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Compound name
pentanedial
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

14452
References

55561
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 116.7
[M+Na]+ 123.04165 124.9
[M-H]- 99.045154 117.2
[M+NH4]+ 118.08625 140.0
[M+K]+ 139.01559 124.8
[M+H-H2O]+ 83.049690 112.6
[M+HCOO]- 145.05063 141.7
[M+CH3COO]- 159.06628 166.3
[M+Na-2H]- 121.02710 124.5
[M]+ 100.05188 119.2
[M]- 100.05298 119.2
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