CID 165647732

Tert-butyl 3-(2-amino-1h-imidazol-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=CN=C2N
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)14-6-8(7-14)15-5-4-13-9(15)12/h4-5,8H,6-7H2,1-3H3,(H2,12,13)
InChIKey
JZAGIZODIKNHCS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-aminoimidazol-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 158.0
[M+Na]+ 261.13219 163.5
[M-H]- 237.13569 160.4
[M+NH4]+ 256.17679 166.7
[M+K]+ 277.10613 165.2
[M+H-H2O]+ 221.14023 144.5
[M+HCOO]- 283.14117 175.1
[M+CH3COO]- 297.15682 195.7
[M+Na-2H]- 259.11764 159.4
[M]+ 238.14242 166.1
[M]- 238.14352 166.1
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

No patent data available for this compound.