CID 962

Water

Structural Information

Molecular Formula
H2O
SMILES
O
InChI
InChI=1S/H2O/h1H2
InChIKey
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Compound name
oxidane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

207999
References

9639420
Patents

18.010565 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 19.017841 97.9
[M+Na]+ 40.999783 109.2
[M+NH4]+ 36.044388 107.2
[M+K]+ 56.973723 104.1
[M-H]- 17.003289 97.6
[M+Na-2H]- 38.985231 103.1
[M]+ 18.010016 99.2
[M]- 18.011114 99.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe