CID 204142

3-amino-5,5-dimethyloxolan-2-one hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CC(C(=O)O1)N)C
InChI
InChI=1S/C6H11NO2/c1-6(2)3-4(7)5(8)9-6/h4H,3,7H2,1-2H3
InChIKey
NKBJBYZRMNUGPF-UHFFFAOYSA-N
Compound name
3-amino-5,5-dimethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

129.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 123.0
[M+Na]+ 152.068198 131.7
[M-H]- 128.071704 127.3
[M+NH4]+ 147.112803 147.3
[M+K]+ 168.042138 132.1
[M+H-H2O]+ 112.076240 119.4
[M+HCOO]- 174.077181 146.4
[M+CH3COO]- 188.092831 172.1
[M+Na-2H]- 150.053646 128.9
[M]+ 129.07843142 121.7
[M]- 129.07952858 121.7
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