CID 14607698

N-tert-butylpyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)(C)NC(=O)C1CCCN1
InChI
InChI=1S/C9H18N2O/c1-9(2,3)11-8(12)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKey
BNUUSRSYNZFTBX-UHFFFAOYSA-N
Compound name
N-tert-butylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

170.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 141.9
[M+Na]+ 193.13112 146.4
[M-H]- 169.13462 142.1
[M+NH4]+ 188.17572 161.7
[M+K]+ 209.10506 145.0
[M+H-H2O]+ 153.13916 136.1
[M+HCOO]- 215.14010 160.3
[M+CH3COO]- 229.15575 177.9
[M+Na-2H]- 191.11657 145.1
[M]+ 170.14135 136.8
[M]- 170.14245 136.8
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