CID 58557901

3-(aminomethyl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C(CC1C(=O)O)CN
InChI
InChI=1S/C6H11NO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3,7H2,(H,8,9)
InChIKey
INKSBOBJGZMVTL-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

129.07898 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.6
[M+Na]+ 152.068198 132.4
[M-H]- 128.071704 129.3
[M+NH4]+ 147.112803 141.8
[M+K]+ 168.042138 134.7
[M+H-H2O]+ 112.076240 117.2
[M+HCOO]- 174.077181 148.0
[M+CH3COO]- 188.092831 175.4
[M+Na-2H]- 150.053646 130.7
[M]+ 129.07843142 132.7
[M]- 129.07952858 132.7
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