CID 46738181

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

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC2C1CNC2
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-11-5-8(7)12/h7-8,11H,4-6H2,1-3H3
InChIKey
YPCQQZHIBTVQAB-UHFFFAOYSA-N
Compound name
tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

198.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 147.6
[M+Na]+ 221.126048 152.5
[M-H]- 197.129554 147.6
[M+NH4]+ 216.170653 160.1
[M+K]+ 237.099988 154.1
[M+H-H2O]+ 181.134090 137.0
[M+HCOO]- 243.135031 161.7
[M+CH3COO]- 257.150681 184.4
[M+Na-2H]- 219.111496 150.2
[M]+ 198.13628142 154.5
[M]- 198.13737858 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