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

25
Patents

130.11061 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 128.2
[M+Na]+ 153.09983 135.3
[M-H]- 129.10333 128.7
[M+NH4]+ 148.14443 149.8
[M+K]+ 169.07377 133.9
[M+H-H2O]+ 113.10787 122.6
[M+HCOO]- 175.10881 149.3
[M+CH3COO]- 189.12446 171.5
[M+Na-2H]- 151.08528 131.0
[M]+ 130.11006 123.8
[M]- 130.11116 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