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

36
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]+ 110.05763 123.2
[M-H]- 86.061134 117.0
[M+NH4]+ 105.10223 131.5
[M+K]+ 126.03157 121.0
[M+H-H2O]+ 70.065670 108.5
[M+HCOO]- 132.06661 137.4
[M+CH3COO]- 146.08226 168.1
[M+Na-2H]- 108.04308 120.4
[M]+ 87.067861 113.5
[M]- 87.068959 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