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

14
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.6
[M+Na]+ 152.104588 135.7
[M-H]- 128.108094 128.7
[M+NH4]+ 147.149193 152.6
[M+K]+ 168.078528 133.8
[M+H-H2O]+ 112.112630 124.8
[M+HCOO]- 174.113571 148.5
[M+CH3COO]- 188.129221 165.1
[M+Na-2H]- 150.090036 134.6
[M]+ 129.11482142 125.0
[M]- 129.11591858 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