CID 63189099

5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H10N4S
SMILES
CN(C)CC1=NN=C(S1)N
InChI
InChI=1S/C5H10N4S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3,(H2,6,8)
InChIKey
BHWOPHQJYBJSFP-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.06262 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06990 130.5
[M+Na]+ 181.05184 139.4
[M-H]- 157.05534 133.2
[M+NH4]+ 176.09644 151.3
[M+K]+ 197.02578 138.5
[M+H-H2O]+ 141.05988 123.2
[M+HCOO]- 203.06082 151.1
[M+CH3COO]- 217.07647 182.2
[M+Na-2H]- 179.03729 133.3
[M]+ 158.06207 132.1
[M]- 158.06317 132.1
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