CID 4640556

39159-35-8

Structural Information

Molecular Formula
C10H21NOS
SMILES
CCN(CC)CCSCC(C=C)O
InChI
InChI=1S/C10H21NOS/c1-4-10(12)9-13-8-7-11(5-2)6-3/h4,10,12H,1,5-9H2,2-3H3
InChIKey
JMRCTLPPBZMTGE-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylsulfanyl]but-3-en-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 149.6
[M+Na]+ 226.12360 153.9
[M-H]- 202.12710 149.2
[M+NH4]+ 221.16820 168.8
[M+K]+ 242.09754 152.2
[M+H-H2O]+ 186.13164 143.6
[M+HCOO]- 248.13258 165.8
[M+CH3COO]- 262.14823 190.6
[M+Na-2H]- 224.10905 149.0
[M]+ 203.13383 153.0
[M]- 203.13493 153.0
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.