CID 5371560

Dicrotophos

Structural Information

Molecular Formula
C8H16NO5P
SMILES
C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC
InChI
InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
InChIKey
VEENJGZXVHKXNB-VOTSOKGWSA-N
Compound name
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

63
References

24731
Patents

237.07661 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.083886 151.2
[M+Na]+ 260.065828 157.2
[M-H]- 236.069334 151.8
[M+NH4]+ 255.110433 169.9
[M+K]+ 276.039768 159.7
[M+H-H2O]+ 220.073870 143.7
[M+HCOO]- 282.074811 179.4
[M+CH3COO]- 296.090461 196.4
[M+Na-2H]- 258.051276 152.2
[M]+ 237.07606142 158.7
[M]- 237.07715858 158.7
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