CID 99721

90379-37-6

Structural Information

Molecular Formula
C12H22N2O3S2
SMILES
CC1(C2CCC1(C(C2)N=C(CSS(=O)(=O)O)N)C)C
InChI
InChI=1S/C12H22N2O3S2/c1-11(2)8-4-5-12(11,3)9(6-8)14-10(13)7-18-19(15,16)17/h8-9H,4-7H2,1-3H3,(H2,13,14)(H,15,16,17)
InChIKey
AKFGKNDBVKJPBX-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]-1,7,7-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10718 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11446 166.8
[M+Na]+ 329.09640 173.5
[M-H]- 305.09990 167.8
[M+NH4]+ 324.14100 190.3
[M+K]+ 345.07034 170.2
[M+H-H2O]+ 289.10444 165.3
[M+HCOO]- 351.10538 175.7
[M+CH3COO]- 365.12103 203.6
[M+Na-2H]- 327.08185 169.9
[M]+ 306.10663 170.0
[M]- 306.10773 170.0
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

No patent data available for this compound.