CID 952319

[(2s)-1-ethyl-2-pyrrolidinyl]methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
CCN1CCC[C@H]1CO
InChI
InChI=1S/C7H15NO/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKey
GHQCZUMSSZNLJP-ZETCQYMHSA-N
Compound name
[(2S)-1-ethylpyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.1
[M+Na]+ 152.10459 135.6
[M-H]- 128.10809 129.5
[M+NH4]+ 147.14919 151.0
[M+K]+ 168.07853 134.5
[M+H-H2O]+ 112.11263 123.4
[M+HCOO]- 174.11357 149.5
[M+CH3COO]- 188.12922 169.3
[M+Na-2H]- 150.09004 132.7
[M]+ 129.11482 126.4
[M]- 129.11592 126.4
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