CID 45116035

(2s,4r)-1-methyl-4-propylpyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C9H18N2O
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N
InChI
InChI=1S/C9H18N2O/c1-3-4-7-5-8(9(10)12)11(2)6-7/h7-8H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m1/s1
InChIKey
XGRUMIVSCDLWCM-SFYZADRCSA-N
Compound name
(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.5
[M+Na]+ 193.131118 146.8
[M-H]- 169.134624 142.0
[M+NH4]+ 188.175723 161.1
[M+K]+ 209.105058 145.4
[M+H-H2O]+ 153.139160 134.3
[M+HCOO]- 215.140101 161.4
[M+CH3COO]- 229.155751 183.2
[M+Na-2H]- 191.116566 141.1
[M]+ 170.14135142 137.8
[M]- 170.14244858 137.8
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

patents stripe