CID 74007075

Glycerol dehydrogenase

Structural Information

Molecular Formula
C5H7BO
SMILES
[B]C=C1CC1CO
InChI
InChI=1S/C5H7BO/c6-2-4-1-5(4)3-7/h2,5,7H,1,3H2
InChIKey
ZXXPUEQPCLWPPQ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

199
References

10
Patents

94.059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.066276 116.2
[M+Na]+ 117.04822 126.4
[M-H]- 93.051724 120.1
[M+NH4]+ 112.09282 134.6
[M+K]+ 133.02216 124.0
[M+H-H2O]+ 77.056260 111.4
[M+HCOO]- 139.05720 139.5
[M+CH3COO]- 153.07285 167.8
[M+Na-2H]- 115.03367 123.2
[M]+ 94.058451 117.9
[M]- 94.059549 117.9
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