CID 103985007

[3-(methoxymethyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C7H15NO2
SMILES
COCC1(CCNC1)CO
InChI
InChI=1S/C7H15NO2/c1-10-6-7(5-9)2-3-8-4-7/h8-9H,2-6H2,1H3
InChIKey
PHOYKIABUKOWQG-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 132.4
[M+Na]+ 168.099498 138.5
[M-H]- 144.103004 131.4
[M+NH4]+ 163.144103 154.7
[M+K]+ 184.073438 137.0
[M+H-H2O]+ 128.107540 127.5
[M+HCOO]- 190.108481 151.5
[M+CH3COO]- 204.124131 167.1
[M+Na-2H]- 166.084946 137.5
[M]+ 145.10973142 129.3
[M]- 145.11082858 129.3
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