CID 62344405

3-(cyclopentylmethoxy)propan-1-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(C1)COCCCN
InChI
InChI=1S/C9H19NO/c10-6-3-7-11-8-9-4-1-2-5-9/h9H,1-8,10H2
InChIKey
VLSFUIRRTQLFDL-UHFFFAOYSA-N
Compound name
3-(cyclopentylmethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.7
[M+Na]+ 180.13589 141.9
[M-H]- 156.13939 139.6
[M+NH4]+ 175.18049 159.5
[M+K]+ 196.10983 140.7
[M+H-H2O]+ 140.14393 131.6
[M+HCOO]- 202.14487 160.5
[M+CH3COO]- 216.16052 178.4
[M+Na-2H]- 178.12134 140.8
[M]+ 157.14612 134.9
[M]- 157.14722 134.9
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

patents stripe