CID 46738182

3,6-diaza-bicyclo[3.2.0]heptane-3-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CNC2C1
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3
InChIKey
YKGWXZRHRQUYTA-UHFFFAOYSA-N
Compound name
tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

198.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 147.6
[M+Na]+ 221.12605 152.5
[M-H]- 197.12955 147.6
[M+NH4]+ 216.17065 160.1
[M+K]+ 237.09999 154.1
[M+H-H2O]+ 181.13409 137.0
[M+HCOO]- 243.13503 161.7
[M+CH3COO]- 257.15068 184.4
[M+Na-2H]- 219.11150 150.2
[M]+ 198.13628 154.5
[M]- 198.13738 154.5
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

patents stripe