CID 137964256

2225181-87-1

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2)/C(=N/O)/N
InChI
InChI=1S/C11H18N2O3/c1-9(2,3)16-8(14)11-4-10(5-11,6-11)7(12)13-15/h15H,4-6H2,1-3H3,(H2,12,13)
InChIKey
SCSGEZRXPDGOCX-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 184.2
[M+Na]+ 249.12096 184.3
[M-H]- 225.12446 185.9
[M+NH4]+ 244.16556 187.2
[M+K]+ 265.09490 191.5
[M+H-H2O]+ 209.12900 169.1
[M+HCOO]- 271.12994 194.3
[M+CH3COO]- 285.14559 218.2
[M+Na-2H]- 247.10641 186.6
[M]+ 226.13119 207.5
[M]- 226.13229 207.5
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.