CID 111930096

1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol

Structural Information

Molecular Formula
C10H21NOS
SMILES
CCC(CN1CCSC(C1)(C)C)O
InChI
InChI=1S/C10H21NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h9,12H,4-8H2,1-3H3
InChIKey
DUPGHMJFXSAIRK-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13438 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14166 146.1
[M+Na]+ 226.12360 151.1
[M-H]- 202.12710 146.2
[M+NH4]+ 221.16820 165.8
[M+K]+ 242.09754 149.1
[M+H-H2O]+ 186.13164 140.9
[M+HCOO]- 248.13258 157.1
[M+CH3COO]- 262.14823 182.8
[M+Na-2H]- 224.10905 146.7
[M]+ 203.13383 144.5
[M]- 203.13493 144.5
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.