CID 118663726

891782-29-9

Structural Information

Molecular Formula
C9H17NOS
SMILES
CC(C)(C)[S@@](=O)N=C1CCCC1
InChI
InChI=1S/C9H17NOS/c1-9(2,3)12(11)10-8-6-4-5-7-8/h4-7H2,1-3H3/t12-/m1/s1
InChIKey
NLMAXOUUSMPKKX-GFCCVEGCSA-N
Compound name
(R)-N-cyclopentylidene-2-methylpropane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11037 143.9
[M+Na]+ 210.09231 149.9
[M-H]- 186.09581 148.6
[M+NH4]+ 205.13691 166.4
[M+K]+ 226.06625 148.9
[M+H-H2O]+ 170.10035 138.6
[M+HCOO]- 232.10129 161.5
[M+CH3COO]- 246.11694 183.5
[M+Na-2H]- 208.07776 144.9
[M]+ 187.10254 143.9
[M]- 187.10364 143.9
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

patents stripe