CID 66676870

Tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1C2CC1CNC2
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3
InChIKey
OUFBVDKNEWUFHP-UHFFFAOYSA-N
Compound name
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

733
Patents

198.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 159.3
[M+Na]+ 221.12605 163.0
[M-H]- 197.12955 153.9
[M+NH4]+ 216.17065 173.1
[M+K]+ 237.09999 164.9
[M+H-H2O]+ 181.13409 149.5
[M+HCOO]- 243.13503 166.5
[M+CH3COO]- 257.15068 189.2
[M+Na-2H]- 219.11150 167.2
[M]+ 198.13628 169.3
[M]- 198.13738 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe