CID 104807

31098-42-7

Structural Information

Molecular Formula
C5H14N2S
SMILES
C(CN)CNCCS
InChI
InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
InChIKey
YHPLKWQJMAYFCN-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

234
References

472
Patents

134.08777 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09505 127.3
[M+Na]+ 157.07699 133.2
[M-H]- 133.08049 127.0
[M+NH4]+ 152.12159 148.8
[M+K]+ 173.05093 131.4
[M+H-H2O]+ 117.08503 121.7
[M+HCOO]- 179.08597 147.0
[M+CH3COO]- 193.10162 177.0
[M+Na-2H]- 155.06244 130.8
[M]+ 134.08722 127.4
[M]- 134.08832 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe