CID 21843625

3-(oxan-2-yl)propan-1-amine

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCOC(C1)CCCN
InChI
InChI=1S/C8H17NO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-7,9H2
InChIKey
CHMJVANSKLOUEH-UHFFFAOYSA-N
Compound name
3-(oxan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.0
[M+Na]+ 166.12023 136.9
[M-H]- 142.12373 135.6
[M+NH4]+ 161.16483 152.4
[M+K]+ 182.09417 136.9
[M+H-H2O]+ 126.12827 127.1
[M+HCOO]- 188.12921 153.2
[M+CH3COO]- 202.14486 175.4
[M+Na-2H]- 164.10568 138.9
[M]+ 143.13046 128.5
[M]- 143.13156 128.5
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