CID 145915547

2402828-76-4

Structural Information

Molecular Formula
C11H18N4O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NN=C(S2)CN
InChI
InChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-5-7(6-15)9-14-13-8(4-12)18-9/h7H,4-6,12H2,1-3H3
InChIKey
WZZLBNBADJOZBX-UHFFFAOYSA-N
Compound name
tert-butyl 3-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11505 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12233 162.8
[M+Na]+ 293.10427 167.8
[M-H]- 269.10777 164.9
[M+NH4]+ 288.14887 170.6
[M+K]+ 309.07821 168.8
[M+H-H2O]+ 253.11231 148.9
[M+HCOO]- 315.11325 174.7
[M+CH3COO]- 329.12890 199.3
[M+Na-2H]- 291.08972 161.2
[M]+ 270.11450 172.9
[M]- 270.11560 172.9
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

No patent data available for this compound.