CID 45078890

1777812-86-8

Structural Information

Molecular Formula
C6H14N2O
SMILES
CN1C[C@H](C[C@H]1CO)N
InChI
InChI=1S/C6H14N2O/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKey
FHDKMBDQMNUHAC-WDSKDSINSA-N
Compound name
[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

130.11061 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.117886 128.2
[M+Na]+ 153.099828 135.3
[M-H]- 129.103334 128.7
[M+NH4]+ 148.144433 149.8
[M+K]+ 169.073768 133.9
[M+H-H2O]+ 113.107870 122.6
[M+HCOO]- 175.108811 149.3
[M+CH3COO]- 189.124461 171.5
[M+Na-2H]- 151.085276 131.0
[M]+ 130.11006142 123.8
[M]- 130.11115858 123.8
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