CID 71758100

5-(aminomethyl)-n,n-dimethyloxolane-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CN(C)C(=O)C1CCC(O1)CN
InChI
InChI=1S/C8H16N2O2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h6-7H,3-5,9H2,1-2H3
InChIKey
BKFIAAKZWQTGHE-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.12119 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 140.2
[M+Na]+ 195.110408 145.2
[M-H]- 171.113914 145.0
[M+NH4]+ 190.155013 160.7
[M+K]+ 211.084348 146.8
[M+H-H2O]+ 155.118450 134.1
[M+HCOO]- 217.119391 163.4
[M+CH3COO]- 231.135041 186.2
[M+Na-2H]- 193.095856 142.4
[M]+ 172.12064142 138.6
[M]- 172.12173858 138.6
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