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]+ 146.117556 134.2
[M+Na]+ 168.099498 139.3
[M-H]- 144.103004 131.7
[M+NH4]+ 163.144103 153.7
[M+K]+ 184.073438 137.2
[M+H-H2O]+ 128.107540 129.2
[M+HCOO]- 190.108481 150.1
[M+CH3COO]- 204.124131 165.3
[M+Na-2H]- 166.084946 138.3
[M]+ 145.10973142 128.3
[M]- 145.11082858 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