CID 12394815

3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine

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]+ 157.079386 130.1
[M+Na]+ 179.061328 137.4
[M-H]- 155.064834 132.5
[M+NH4]+ 174.105933 152.8
[M+K]+ 195.035268 134.9
[M+H-H2O]+ 139.069370 124.5
[M+HCOO]- 201.070311 145.7
[M+CH3COO]- 215.085961 143.0
[M+Na-2H]- 177.046776 132.7
[M]+ 156.07156142 126.3
[M]- 156.07265858 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