CID 21485330

3-(ethylsulfanyl)propan-1-amine

Structural Information

Molecular Formula
C5H13NS
SMILES
CCSCCCN
InChI
InChI=1S/C5H13NS/c1-2-7-5-3-4-6/h2-6H2,1H3
InChIKey
YUANZDIYFLGXAB-UHFFFAOYSA-N
Compound name
3-ethylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

119.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.0
[M+Na]+ 142.06609 130.8
[M-H]- 118.06959 123.9
[M+NH4]+ 137.11069 146.6
[M+K]+ 158.04003 129.3
[M+H-H2O]+ 102.07413 119.0
[M+HCOO]- 164.07507 142.8
[M+CH3COO]- 178.09072 172.2
[M+Na-2H]- 140.05154 127.1
[M]+ 119.07632 125.0
[M]- 119.07742 125.0
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

patents stripe