CID 96908

41657-31-2

Structural Information

Molecular Formula
C12H22N3PS
SMILES
CC1CN1P(=S)(N2CC2C)N(CC=C)CC=C
InChI
InChI=1S/C12H22N3PS/c1-5-7-13(8-6-2)16(17,14-9-11(14)3)15-10-12(15)4/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKey
MRIGPWDOYZZKMI-UHFFFAOYSA-N
Compound name
N-bis(2-methylaziridin-1-yl)phosphinothioyl-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

271.1272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13448 173.8
[M+Na]+ 294.11642 180.3
[M-H]- 270.11992 178.1
[M+NH4]+ 289.16102 178.6
[M+K]+ 310.09036 175.8
[M+H-H2O]+ 254.12446 164.0
[M+HCOO]- 316.12540 191.5
[M+CH3COO]- 330.14105 214.5
[M+Na-2H]- 292.10187 169.1
[M]+ 271.12665 180.0
[M]- 271.12775 180.0
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.