CID 64156875

1803587-06-5

Structural Information

Molecular Formula
C7H12N4OS
SMILES
C1COC(CN1C2=NN=CS2)CN
InChI
InChI=1S/C7H12N4OS/c8-3-6-4-11(1-2-12-6)7-10-9-5-13-7/h5-6H,1-4,8H2
InChIKey
CBTVWDAPNGWDKM-UHFFFAOYSA-N
Compound name
[4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07318 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.080456 140.7
[M+Na]+ 223.062398 148.2
[M-H]- 199.065904 143.5
[M+NH4]+ 218.107003 156.3
[M+K]+ 239.036338 146.6
[M+H-H2O]+ 183.070440 132.6
[M+HCOO]- 245.071381 154.9
[M+CH3COO]- 259.087031 152.4
[M+Na-2H]- 221.047846 142.8
[M]+ 200.07263142 138.4
[M]- 200.07372858 138.4
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.