CID 61938

Butoxycarboxim

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CC(C(=NOC(=O)NC)C)S(=O)(=O)C
InChI
InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)
InChIKey
CTJBHIROCMPUKL-UHFFFAOYSA-N
Compound name
(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

14293
Patents

222.06743 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07471 146.7
[M+Na]+ 245.05665 152.5
[M-H]- 221.06015 148.5
[M+NH4]+ 240.10125 165.3
[M+K]+ 261.03059 152.8
[M+H-H2O]+ 205.06469 140.8
[M+HCOO]- 267.06563 165.1
[M+CH3COO]- 281.08128 191.8
[M+Na-2H]- 243.04210 148.7
[M]+ 222.06688 150.8
[M]- 222.06798 150.8
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