CID 12085064

Methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)C12CC(C1)(C2)N
InChI
InChI=1S/C7H11NO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4,8H2,1H3
InChIKey
IIYIKAGIHQBRNZ-UHFFFAOYSA-N
Compound name
methyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

141.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 152.3
[M+Na]+ 164.068198 155.5
[M-H]- 140.071704 155.2
[M+NH4]+ 159.112803 158.9
[M+K]+ 180.042138 162.0
[M+H-H2O]+ 124.076240 139.0
[M+HCOO]- 186.077181 165.4
[M+CH3COO]- 200.092831 205.0
[M+Na-2H]- 162.053646 157.9
[M]+ 141.07843142 176.2
[M]- 141.07952858 176.2
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