CID 94340133

(3s)-3-amino-n-ethylpyrrolidine-1-carboxamide dihydrochloride

Structural Information

Molecular Formula
C7H15N3O
SMILES
CCNC(=O)N1CC[C@@H](C1)N
InChI
InChI=1S/C7H15N3O/c1-2-9-7(11)10-4-3-6(8)5-10/h6H,2-5,8H2,1H3,(H,9,11)/t6-/m0/s1
InChIKey
UJCRXTPCKWHFIK-LURJTMIESA-N
Compound name
(3S)-3-amino-N-ethylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.1215 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 135.6
[M+Na]+ 180.110718 141.0
[M-H]- 156.114224 137.1
[M+NH4]+ 175.155323 156.1
[M+K]+ 196.084658 140.1
[M+H-H2O]+ 140.118760 128.8
[M+HCOO]- 202.119701 158.1
[M+CH3COO]- 216.135351 179.6
[M+Na-2H]- 178.096166 138.2
[M]+ 157.12095142 130.8
[M]- 157.12204858 130.8
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.