CID 18327525

790641-72-4

Structural Information

Molecular Formula
C4H7N3S
SMILES
CC1=C(SN=N1)CN
InChI
InChI=1S/C4H7N3S/c1-3-4(2-5)8-7-6-3/h2,5H2,1H3
InChIKey
UOKUAYFZVFKNIE-UHFFFAOYSA-N
Compound name
(4-methylthiadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

129.03607 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.2
[M+Na]+ 152.025288 132.4
[M-H]- 128.028794 123.7
[M+NH4]+ 147.069893 143.9
[M+K]+ 167.999228 130.5
[M+H-H2O]+ 112.033330 115.9
[M+HCOO]- 174.034271 141.7
[M+CH3COO]- 188.049921 170.8
[M+Na-2H]- 150.010736 125.6
[M]+ 129.03552142 122.9
[M]- 129.03661858 122.9
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