CID 58858732

5-(aminomethyl)-1-ethylpyrrolidin-3-ol

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCN1CC(CC1CN)O
InChI
InChI=1S/C7H16N2O/c1-2-9-5-7(10)3-6(9)4-8/h6-7,10H,2-5,8H2,1H3
InChIKey
WIKVJELPRGJZLA-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1-ethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.12627 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 132.7
[M+Na]+ 167.115488 139.4
[M-H]- 143.118994 133.0
[M+NH4]+ 162.160093 153.8
[M+K]+ 183.089428 137.7
[M+H-H2O]+ 127.123530 126.9
[M+HCOO]- 189.124471 153.5
[M+CH3COO]- 203.140121 174.6
[M+Na-2H]- 165.100936 135.0
[M]+ 144.12572142 128.7
[M]- 144.12681858 128.7
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