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

208759
References

11996392
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

literature stripe

Patent stripe

patents stripe