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

908
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]+ 110.057628 124.1
[M-H]- 86.061134 118.2
[M+NH4]+ 105.102233 134.2
[M+K]+ 126.031568 122.9
[M+H-H2O]+ 70.065670 110.7
[M+HCOO]- 132.066611 138.2
[M+CH3COO]- 146.082261 166.6
[M+Na-2H]- 108.043076 123.2
[M]+ 87.06786142 114.7
[M]- 87.06895858 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