CID 70306214

Tert-butyl 2,3-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)N1
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(6-8)11-12/h7-8,11H,4-6H2,1-3H3
InChIKey
VAHQKKAENCFNEX-UHFFFAOYSA-N
Compound name
tert-butyl 2,3-diazabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.13683 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe