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
9
Annotation Hits

209195
References

16246839
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 97.3
[M+Na]+ 40.999783 105.8
[M-H]- 17.003289 96.2
[M+NH4]+ 36.044388 122.8
[M+K]+ 56.973723 106.4
[M+H-H2O]+ 1.007825 93.7
[M+HCOO]- 63.008766 121.6
[M+CH3COO]- 77.024416 146.7
[M+Na-2H]- 38.985231 106.8
[M]+ 18.010016 95.1
[M]- 18.011114 95.1
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

No patent data available for this compound.