CID 62063038

3-(aminomethyl)pyrrolidine-1-carboxamide dihydrochloride

Structural Information

Molecular Formula
C6H13N3O
SMILES
C1CN(CC1CN)C(=O)N
InChI
InChI=1S/C6H13N3O/c7-3-5-1-2-9(4-5)6(8)10/h5H,1-4,7H2,(H2,8,10)
InChIKey
ZKZFDOOBJYSKFU-UHFFFAOYSA-N
Compound name
3-(aminomethyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.10587 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.11315 131.0
[M+Na]+ 166.09509 136.8
[M-H]- 142.09859 132.1
[M+NH4]+ 161.13969 151.7
[M+K]+ 182.06903 135.8
[M+H-H2O]+ 126.10313 124.4
[M+HCOO]- 188.10407 153.2
[M+CH3COO]- 202.11972 176.6
[M+Na-2H]- 164.08054 133.1
[M]+ 143.10532 124.9
[M]- 143.10642 124.9
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

No patent data available for this compound.