CID 2915

Cystamine

Structural Information

Molecular Formula
C4H12N2S2
SMILES
C(CSSCCN)N
InChI
InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
InChIKey
APQPRKLAWCIJEK-UHFFFAOYSA-N
Compound name
2-(2-aminoethyldisulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1521
References

25111
Patents

152.04419 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.051466 126.8
[M+Na]+ 175.033408 132.9
[M-H]- 151.036914 125.6
[M+NH4]+ 170.078013 147.2
[M+K]+ 191.007348 129.0
[M+H-H2O]+ 135.041450 120.9
[M+HCOO]- 197.042391 139.9
[M+CH3COO]- 211.058041 178.3
[M+Na-2H]- 173.018856 127.5
[M]+ 152.04364142 126.1
[M]- 152.04473858 126.1
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