CID 122163855

2-azaspiro[3.3]heptane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC2(C1)CNC2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)5-7(4-8-5)2-1-3-7/h5,8H,1-4H2,(H,9,10)
InChIKey
MRDSCWQPHBCAGM-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

141.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 126.5
[M+Na]+ 164.068198 130.2
[M-H]- 140.071704 128.1
[M+NH4]+ 159.112803 133.9
[M+K]+ 180.042138 134.2
[M+H-H2O]+ 124.076240 113.1
[M+HCOO]- 186.077181 141.0
[M+CH3COO]- 200.092831 181.7
[M+Na-2H]- 162.053646 131.4
[M]+ 141.07843142 138.4
[M]- 141.07952858 138.4
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