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

20
Patents

116.09496 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 123.7
[M+Na]+ 139.08418 131.2
[M-H]- 115.08768 124.3
[M+NH4]+ 134.12878 145.8
[M+K]+ 155.05812 130.0
[M+H-H2O]+ 99.092220 118.2
[M+HCOO]- 161.09316 145.1
[M+CH3COO]- 175.10881 168.5
[M+Na-2H]- 137.06963 127.0
[M]+ 116.09441 118.9
[M]- 116.09551 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