CID 485275

(2s)-1-(2-aminoacetyl)pyrrolidine-2-carbaldehyde

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1C[C@H](N(C1)C(=O)CN)C=O
InChI
InChI=1S/C7H12N2O2/c8-4-7(11)9-3-1-2-6(9)5-10/h5-6H,1-4,8H2/t6-/m0/s1
InChIKey
URWDXNZEJDQBBH-LURJTMIESA-N
Compound name
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

564
Patents

156.08987 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.6
[M+Na]+ 179.07909 140.0
[M-H]- 155.08259 135.0
[M+NH4]+ 174.12369 154.3
[M+K]+ 195.05303 139.0
[M+H-H2O]+ 139.08713 127.3
[M+HCOO]- 201.08807 155.5
[M+CH3COO]- 215.10372 176.5
[M+Na-2H]- 177.06454 135.8
[M]+ 156.08932 130.3
[M]- 156.09042 130.3
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