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 141.7
[M+Na]+ 218.07224 151.2
[M-H]- 194.07574 146.1
[M+NH4]+ 213.11684 166.1
[M+K]+ 234.04618 149.1
[M+H-H2O]+ 178.08028 136.5
[M+HCOO]- 240.08122 158.8
[M+CH3COO]- 254.09687 155.1
[M+Na-2H]- 216.05769 140.8
[M]+ 195.08247 141.7
[M]- 195.08357 141.7
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.