CID 12609623

74592-33-9

Structural Information

Molecular Formula
C4H9NO
SMILES
C1CC1(CN)O
InChI
InChI=1S/C4H9NO/c5-3-4(6)1-2-4/h6H,1-3,5H2
InChIKey
JXJORHGRCCODBV-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

851
Patents

87.06841 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 114.6
[M+Na]+ 110.05763 124.1
[M-H]- 86.061134 118.2
[M+NH4]+ 105.10223 134.2
[M+K]+ 126.03157 122.9
[M+H-H2O]+ 70.065670 110.7
[M+HCOO]- 132.06661 138.2
[M+CH3COO]- 146.08226 166.6
[M+Na-2H]- 108.04308 123.2
[M]+ 87.067861 114.7
[M]- 87.068959 114.7
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