CID 55284733

873537-21-4

Structural Information

Molecular Formula
C4H9NO
SMILES
C1[C@H]([C@@H]1N)CO
InChI
InChI=1S/C4H9NO/c5-4-1-3(4)2-6/h3-4,6H,1-2,5H2/t3-,4+/m0/s1
InChIKey
YACWILRABGNJKG-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-aminocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

87.06841 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 113.4
[M+Na]+ 110.057628 123.2
[M-H]- 86.061134 117.0
[M+NH4]+ 105.102233 131.5
[M+K]+ 126.031568 121.0
[M+H-H2O]+ 70.065670 108.5
[M+HCOO]- 132.066611 137.4
[M+CH3COO]- 146.082261 168.1
[M+Na-2H]- 108.043076 120.4
[M]+ 87.06786142 113.5
[M]- 87.06895858 113.5
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