CID 3033251

Usaf mk-12

Structural Information

Molecular Formula
C14H24N2O4S2
SMILES
C(CCC(=O)O)CCNC(=S)C(=S)NCCCCCC(=O)O
InChI
InChI=1S/C14H24N2O4S2/c17-11(18)7-3-1-5-9-15-13(21)14(22)16-10-6-2-4-8-12(19)20/h1-10H2,(H,15,21)(H,16,22)(H,17,18)(H,19,20)
InChIKey
ULDWLRACFAJMJC-UHFFFAOYSA-N
Compound name
6-[[2-(5-carboxypentylamino)-2-sulfanylideneethanethioyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.11774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12502 181.1
[M+Na]+ 371.10696 181.0
[M-H]- 347.11046 176.0
[M+NH4]+ 366.15156 191.8
[M+K]+ 387.08090 175.3
[M+H-H2O]+ 331.11500 173.4
[M+HCOO]- 393.11594 186.9
[M+CH3COO]- 407.13159 210.2
[M+Na-2H]- 369.09241 175.6
[M]+ 348.11719 182.3
[M]- 348.11829 182.3
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