CID 58396046

1375066-18-4

Structural Information

Molecular Formula
C5H12N2O
SMILES
CN1C[C@H]([C@@H](C1)O)N
InChI
InChI=1S/C5H12N2O/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKey
CIQOTANLSZEILP-RFZPGFLSSA-N
Compound name
(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

116.09496 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 123.7
[M+Na]+ 139.084178 131.2
[M-H]- 115.087684 124.3
[M+NH4]+ 134.128783 145.8
[M+K]+ 155.058118 130.0
[M+H-H2O]+ 99.092220 118.2
[M+HCOO]- 161.093161 145.1
[M+CH3COO]- 175.108811 168.5
[M+Na-2H]- 137.069626 127.0
[M]+ 116.09441142 118.9
[M]- 116.09550858 118.9
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