CID 78715

5015-38-3

Structural Information

Molecular Formula
C3H6NO4P
SMILES
C(COP(=O)(O)O)C#N
InChI
InChI=1S/C3H6NO4P/c4-2-1-3-8-9(5,6)7/h1,3H2,(H2,5,6,7)
InChIKey
NJDPBWLDVFCXNP-UHFFFAOYSA-N
Compound name
2-cyanoethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1713
Patents

151.00345 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01073 124.1
[M+Na]+ 173.99267 133.4
[M-H]- 149.99617 122.0
[M+NH4]+ 169.03727 142.6
[M+K]+ 189.96661 133.8
[M+H-H2O]+ 134.00071 112.1
[M+HCOO]- 196.00165 147.0
[M+CH3COO]- 210.01730 182.1
[M+Na-2H]- 171.97812 129.4
[M]+ 151.00290 121.6
[M]- 151.00400 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