CID 40162

Brn 2254961

Structural Information

Molecular Formula
C9H19NO3S
SMILES
CCCN(CCC)C(=O)S(=O)(=O)CC
InChI
InChI=1S/C9H19NO3S/c1-4-7-10(8-5-2)9(11)14(12,13)6-3/h4-8H2,1-3H3
InChIKey
UFAJMCYNUQICRB-UHFFFAOYSA-N
Compound name
1-ethylsulfonyl-N,N-dipropylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10857 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115846 149.8
[M+Na]+ 244.097788 155.8
[M-H]- 220.101294 151.3
[M+NH4]+ 239.142393 169.1
[M+K]+ 260.071728 155.4
[M+H-H2O]+ 204.105830 144.1
[M+HCOO]- 266.106771 167.3
[M+CH3COO]- 280.122421 191.4
[M+Na-2H]- 242.083236 151.2
[M]+ 221.10802142 155.6
[M]- 221.10911858 155.6
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.