CID 120985

3-aminopropyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H10NO4P
SMILES
C(CN)COP(=O)(O)O
InChI
InChI=1S/C3H10NO4P/c4-2-1-3-8-9(5,6)7/h1-4H2,(H2,5,6,7)
InChIKey
KUQZVISZELWDNZ-UHFFFAOYSA-N
Compound name
3-aminopropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3798
Patents

155.03474 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04202 132.5
[M+Na]+ 178.02396 139.2
[M-H]- 154.02746 128.6
[M+NH4]+ 173.06856 152.1
[M+K]+ 193.99790 138.9
[M+H-H2O]+ 138.03200 126.0
[M+HCOO]- 200.03294 159.2
[M+CH3COO]- 214.04859 171.6
[M+Na-2H]- 176.00941 136.3
[M]+ 155.03419 133.1
[M]- 155.03529 133.1
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