CID 2760898

(1s,4s)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CC1CN2
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3
InChIKey
UXAWXZDXVOYLII-UHFFFAOYSA-N
Compound name
tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4517
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 150.1
[M+Na]+ 221.12605 156.5
[M-H]- 197.12955 148.8
[M+NH4]+ 216.17065 171.4
[M+K]+ 237.09999 155.2
[M+H-H2O]+ 181.13409 145.0
[M+HCOO]- 243.13503 165.0
[M+CH3COO]- 257.15068 180.7
[M+Na-2H]- 219.11150 152.2
[M]+ 198.13628 148.7
[M]- 198.13738 148.7
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