CID 203724

15054-10-1

Structural Information

Molecular Formula
C5H11N3S
SMILES
CC1CN(N=C(S1)N)C
InChI
InChI=1S/C5H11N3S/c1-4-3-8(2)7-5(6)9-4/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
LSBNEIKELQVHJL-UHFFFAOYSA-N
Compound name
4,6-dimethyl-5,6-dihydro-1,3,4-thiadiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.06737 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07465 128.3
[M+Na]+ 168.05659 136.8
[M-H]- 144.06009 129.1
[M+NH4]+ 163.10119 147.6
[M+K]+ 184.03053 134.5
[M+H-H2O]+ 128.06463 121.9
[M+HCOO]- 190.06557 143.7
[M+CH3COO]- 204.08122 175.5
[M+Na-2H]- 166.04204 131.1
[M]+ 145.06682 126.1
[M]- 145.06792 126.1
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