CID 3034715

Octahydro-2h-cyclopentapyrimidine-2-thione

Structural Information

Molecular Formula
C7H12N2S
SMILES
C1CC2CNC(=S)NC2C1
InChI
InChI=1S/C7H12N2S/c10-7-8-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
InChIKey
LTPWXPXNKXNETK-UHFFFAOYSA-N
Compound name
1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 133.1
[M+Na]+ 179.06133 139.8
[M-H]- 155.06483 131.5
[M+NH4]+ 174.10593 153.5
[M+K]+ 195.03527 135.6
[M+H-H2O]+ 139.06937 127.7
[M+HCOO]- 201.07031 142.8
[M+CH3COO]- 215.08596 144.1
[M+Na-2H]- 177.04678 134.0
[M]+ 156.07156 125.8
[M]- 156.07266 125.8
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