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]+ 201.08046 140.7
[M+Na]+ 223.06240 148.2
[M-H]- 199.06590 143.5
[M+NH4]+ 218.10700 156.3
[M+K]+ 239.03634 146.6
[M+H-H2O]+ 183.07044 132.6
[M+HCOO]- 245.07138 154.9
[M+CH3COO]- 259.08703 152.4
[M+Na-2H]- 221.04785 142.8
[M]+ 200.07263 138.4
[M]- 200.07373 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.