CID 12174993

1-amino-3-(pyrrolidin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C7H16N2O
SMILES
C1CCN(C1)CC(CN)O
InChI
InChI=1S/C7H16N2O/c8-5-7(10)6-9-3-1-2-4-9/h7,10H,1-6,8H2
InChIKey
DEORKGOOAYZFNO-UHFFFAOYSA-N
Compound name
1-amino-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

144.12627 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 133.8
[M+Na]+ 167.115488 138.2
[M-H]- 143.118994 133.3
[M+NH4]+ 162.160093 154.0
[M+K]+ 183.089428 137.1
[M+H-H2O]+ 127.123530 127.3
[M+HCOO]- 189.124471 153.5
[M+CH3COO]- 203.140121 173.1
[M+Na-2H]- 165.100936 136.1
[M]+ 144.12572142 128.3
[M]- 144.12681858 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