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]+ 204.141656 149.6
[M+Na]+ 226.123598 153.9
[M-H]- 202.127104 149.2
[M+NH4]+ 221.168203 168.8
[M+K]+ 242.097538 152.2
[M+H-H2O]+ 186.131640 143.6
[M+HCOO]- 248.132581 165.8
[M+CH3COO]- 262.148231 190.6
[M+Na-2H]- 224.109046 149.0
[M]+ 203.13383142 153.0
[M]- 203.13492858 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.