CID 72207254

1273562-74-5

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1C2CC1C(=O)NC2
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-4-7(12)8(13)11-5-6/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKey
FMTWZULNMBYWPQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 161.2
[M+Na]+ 235.10531 165.7
[M-H]- 211.10881 156.1
[M+NH4]+ 230.14991 174.5
[M+K]+ 251.07925 167.7
[M+H-H2O]+ 195.11335 151.7
[M+HCOO]- 257.11429 168.7
[M+CH3COO]- 271.12994 191.6
[M+Na-2H]- 233.09076 168.7
[M]+ 212.11554 172.3
[M]- 212.11664 172.3
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