CID 21702849

(1-ethylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
CCN1CCC(C1)CO
InChI
InChI=1S/C7H15NO/c1-2-8-4-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKey
OQESQLHTMOOSST-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

129.11537 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe