CID 14778

1305-78-8

Structural Information

Molecular Formula
CaO
SMILES
O=[Ca]
InChI
InChI=1S/Ca.O
InChIKey
ODINCKMPIJJUCX-UHFFFAOYSA-N
Compound name
oxocalcium
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2118
References

107990
Patents

55.957504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 56.964780 100.2
[M+Na]+ 78.946722 109.6
[M-H]- 54.950228 101.3
[M+NH4]+ 73.991327 126.2
[M+K]+ 94.920662 110.7
[M+H-H2O]+ 38.954764 96.9
[M+HCOO]- 100.95570 125.9
[M+CH3COO]- 114.97136 154.4
[M+Na-2H]- 76.932170 109.9
[M]+ 55.956955 100.5
[M]- 55.958053 100.5
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