CID 15391

Isopropyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H9O4P
SMILES
CC(C)OP(=O)(O)O
InChI
InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKey
QPPQHRDVPBTVEV-UHFFFAOYSA-N
Compound name
propan-2-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

15515
Patents

140.02385 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03113 128.7
[M+Na]+ 163.01307 136.2
[M-H]- 139.01657 125.6
[M+NH4]+ 158.05767 149.5
[M+K]+ 178.98701 136.8
[M+H-H2O]+ 123.02111 123.0
[M+HCOO]- 185.02205 154.1
[M+CH3COO]- 199.03770 168.0
[M+Na-2H]- 160.99852 132.2
[M]+ 140.02330 130.6
[M]- 140.02440 130.6
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