CID 3588178

Di-boc-cystamine

Structural Information

Molecular Formula
C14H28N2O4S2
SMILES
CC(C)(C)OC(=O)NCCSSCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O4S2/c1-13(2,3)19-11(17)15-7-9-21-22-10-8-16-12(18)20-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKey
HBTMWZADMHBLMY-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

352.14905 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15633 185.2
[M+Na]+ 375.13827 186.9
[M-H]- 351.14177 183.4
[M+NH4]+ 370.18287 197.9
[M+K]+ 391.11221 184.0
[M+H-H2O]+ 335.14631 177.9
[M+HCOO]- 397.14725 193.0
[M+CH3COO]- 411.16290 213.5
[M+Na-2H]- 373.12372 184.4
[M]+ 352.14850 191.4
[M]- 352.14960 191.4
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