CID 64982687

(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H13N3S
SMILES
CC(C)(C)C1=NN=C(S1)CN
InChI
InChI=1S/C7H13N3S/c1-7(2,3)6-10-9-5(4-8)11-6/h4,8H2,1-3H3
InChIKey
HKLPSVWLVHARLA-UHFFFAOYSA-N
Compound name
(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.08302 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 138.3
[M+Na]+ 194.07224 148.1
[M+NH4]+ 189.11684 146.3
[M+K]+ 210.04618 143.2
[M-H]- 170.07574 138.8
[M+Na-2H]- 192.05769 142.6
[M]+ 171.08247 140.2
[M]- 171.08357 140.2
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