CID 5371562

Monocrotophos

Structural Information

Molecular Formula
C7H14NO5P
SMILES
C/C(=C\C(=O)NC)/OP(=O)(OC)OC
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
InChIKey
KRTSDMXIXPKRQR-AATRIKPKSA-N
Compound name
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

354
References

52899
Patents

223.06096 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06824 147.9
[M+Na]+ 246.05018 154.1
[M-H]- 222.05368 147.1
[M+NH4]+ 241.09478 166.4
[M+K]+ 262.02412 155.4
[M+H-H2O]+ 206.05822 140.6
[M+HCOO]- 268.05916 175.9
[M+CH3COO]- 282.07481 190.0
[M+Na-2H]- 244.03563 150.0
[M]+ 223.06041 153.6
[M]- 223.06151 153.6
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

No patent data available for this compound.