CID 61366136

1247625-20-2

Structural Information

Molecular Formula
C9H13N3S
SMILES
C1CC2CC1CC2C3=NN=C(S3)N
InChI
InChI=1S/C9H13N3S/c10-9-12-11-8(13-9)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,10,12)
InChIKey
UOQMUITVVHGFHW-UHFFFAOYSA-N
Compound name
5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08302 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 140.6
[M+Na]+ 218.07224 148.9
[M+NH4]+ 213.11684 150.3
[M+K]+ 234.04618 146.9
[M-H]- 194.07574 142.6
[M+Na-2H]- 216.05769 143.0
[M]+ 195.08247 142.5
[M]- 195.08357 142.5
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.