CID 55287715

2418671-57-3

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(CO)(C1CCNC1)O
InChI
InChI=1S/C7H15NO2/c1-7(10,5-9)6-2-3-8-4-6/h6,8-10H,2-5H2,1H3
InChIKey
GQLZSMGMYJAKGW-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-ylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.2
[M+Na]+ 168.09950 139.3
[M-H]- 144.10300 131.7
[M+NH4]+ 163.14410 153.7
[M+K]+ 184.07344 137.2
[M+H-H2O]+ 128.10754 129.2
[M+HCOO]- 190.10848 150.1
[M+CH3COO]- 204.12413 165.3
[M+Na-2H]- 166.08495 138.3
[M]+ 145.10973 128.3
[M]- 145.11083 128.3
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