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

158
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.1
[M+Na]+ 152.104588 135.6
[M-H]- 128.108094 129.5
[M+NH4]+ 147.149193 151.0
[M+K]+ 168.078528 134.5
[M+H-H2O]+ 112.112630 123.4
[M+HCOO]- 174.113571 149.5
[M+CH3COO]- 188.129221 169.3
[M+Na-2H]- 150.090036 132.7
[M]+ 129.11482142 126.4
[M]- 129.11591858 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