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

4
Patents

198.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 150.1
[M+Na]+ 221.126048 156.5
[M-H]- 197.129554 148.8
[M+NH4]+ 216.170653 171.4
[M+K]+ 237.099988 155.2
[M+H-H2O]+ 181.134090 145.0
[M+HCOO]- 243.135031 165.0
[M+CH3COO]- 257.150681 180.7
[M+Na-2H]- 219.111496 152.2
[M]+ 198.13628142 148.7
[M]- 198.13737858 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