CID 71649879

3-(hydroxymethyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1CNCC1(CO)O
InChI
InChI=1S/C5H11NO2/c7-4-5(8)1-2-6-3-5/h6-8H,1-4H2
InChIKey
IEVFAEYHOYSFTH-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

117.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.4
[M+Na]+ 140.06820 130.9
[M-H]- 116.07170 122.4
[M+NH4]+ 135.11280 147.1
[M+K]+ 156.04214 129.0
[M+H-H2O]+ 100.07624 120.1
[M+HCOO]- 162.07718 142.7
[M+CH3COO]- 176.09283 158.5
[M+Na-2H]- 138.05365 130.0
[M]+ 117.07843 118.7
[M]- 117.07953 118.7
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