CID 544670

62347-23-3

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=NN=C(S1)NC(C)C
InChI
InChI=1S/C6H11N3S/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKey
LJRUOAZKZFJJIJ-UHFFFAOYSA-N
Compound name
5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

157.06737 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 131.5
[M+Na]+ 180.05659 140.5
[M-H]- 156.06009 133.3
[M+NH4]+ 175.10119 152.3
[M+K]+ 196.03053 139.0
[M+H-H2O]+ 140.06463 124.9
[M+HCOO]- 202.06557 149.9
[M+CH3COO]- 216.08122 178.4
[M+Na-2H]- 178.04204 133.8
[M]+ 157.06682 133.4
[M]- 157.06792 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe