CID 89432922

1909288-57-8

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)[C@@H]1CCO[C@@H]1CN
InChI
InChI=1S/C8H17NO/c1-6(2)7-3-4-10-8(7)5-9/h6-8H,3-5,9H2,1-2H3/t7-,8+/m0/s1
InChIKey
ZJDSZAXRGSXRBA-JGVFFNPUSA-N
Compound name
[(2S,3S)-3-propan-2-yloxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.1
[M+Na]+ 166.120228 139.6
[M-H]- 142.123734 137.4
[M+NH4]+ 161.164833 155.6
[M+K]+ 182.094168 139.9
[M+H-H2O]+ 126.128270 128.9
[M+HCOO]- 188.129211 155.4
[M+CH3COO]- 202.144861 177.2
[M+Na-2H]- 164.105676 136.8
[M]+ 143.13046142 131.4
[M]- 143.13155858 131.4
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