CID 69280

Glycerol-2-nitrate

Structural Information

Molecular Formula
C3H7NO5
SMILES
C(C(CO)O[N+](=O)[O-])O
InChI
InChI=1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2
InChIKey
QYZBMMOLPVKAPU-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl nitrate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

6
References

522
Patents

137.03242 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.039696 122.8
[M+Na]+ 160.021638 129.2
[M-H]- 136.025144 120.7
[M+NH4]+ 155.066243 142.2
[M+K]+ 175.995578 125.8
[M+H-H2O]+ 120.029680 123.1
[M+HCOO]- 182.030621 145.6
[M+CH3COO]- 196.046271 160.4
[M+Na-2H]- 158.007086 130.1
[M]+ 137.03187142 121.6
[M]- 137.03296858 121.6
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