CID 62314330

3-amino-2-(cyclopentylmethyl)propan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(C1)CC(CN)CO
InChI
InChI=1S/C9H19NO/c10-6-9(7-11)5-8-3-1-2-4-8/h8-9,11H,1-7,10H2
InChIKey
VGNDMJNNNYAABM-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-cyclopentylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 139.2
[M+Na]+ 180.135888 142.7
[M-H]- 156.139394 139.8
[M+NH4]+ 175.180493 160.2
[M+K]+ 196.109828 141.1
[M+H-H2O]+ 140.143930 133.4
[M+HCOO]- 202.144871 159.5
[M+CH3COO]- 216.160521 176.6
[M+Na-2H]- 178.121336 140.5
[M]+ 157.14612142 133.9
[M]- 157.14721858 133.9
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

No patent data available for this compound.