CID 12394815

84147-08-0

Structural Information

Molecular Formula
C7H12N2S
SMILES
C1CCC2C(C1)N=C(S2)N
InChI
InChI=1S/C7H12N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h5-6H,1-4H2,(H2,8,9)
InChIKey
YNLKURISMZATTF-UHFFFAOYSA-N
Compound name
3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 130.1
[M+Na]+ 179.06133 137.4
[M-H]- 155.06483 132.5
[M+NH4]+ 174.10593 152.8
[M+K]+ 195.03527 134.9
[M+H-H2O]+ 139.06937 124.5
[M+HCOO]- 201.07031 145.7
[M+CH3COO]- 215.08596 143.0
[M+Na-2H]- 177.04678 132.7
[M]+ 156.07156 126.3
[M]- 156.07266 126.3
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