CID 21889802

1-aminospiro[2.3]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC2(C1)CC2(C(=O)O)N
InChI
InChI=1S/C7H11NO2/c8-7(5(9)10)4-6(7)2-1-3-6/h1-4,8H2,(H,9,10)
InChIKey
YENHFGZMZBROAK-UHFFFAOYSA-N
Compound name
2-aminospiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.07898 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 131.1
[M+Na]+ 164.068198 138.8
[M-H]- 140.071704 136.6
[M+NH4]+ 159.112803 144.5
[M+K]+ 180.042138 140.5
[M+H-H2O]+ 124.076240 123.6
[M+HCOO]- 186.077181 150.8
[M+CH3COO]- 200.092831 179.0
[M+Na-2H]- 162.053646 137.8
[M]+ 141.07843142 139.1
[M]- 141.07952858 139.1
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