CID 51072279

(2-ethylpyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
CCC1(CCCN1)CO
InChI
InChI=1S/C7H15NO/c1-2-7(6-9)4-3-5-8-7/h8-9H,2-6H2,1H3
InChIKey
MUDJTIDXZWKQJP-UHFFFAOYSA-N
Compound name
(2-ethylpyrrolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.6
[M+Na]+ 152.10459 135.7
[M-H]- 128.10809 128.7
[M+NH4]+ 147.14919 152.6
[M+K]+ 168.07853 133.8
[M+H-H2O]+ 112.11263 124.8
[M+HCOO]- 174.11357 148.5
[M+CH3COO]- 188.12922 165.1
[M+Na-2H]- 150.09004 134.6
[M]+ 129.11482 125.0
[M]- 129.11592 125.0
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