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

13
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 133.0
[M+Na]+ 166.120228 136.9
[M-H]- 142.123734 135.6
[M+NH4]+ 161.164833 152.4
[M+K]+ 182.094168 136.9
[M+H-H2O]+ 126.128270 127.1
[M+HCOO]- 188.129211 153.2
[M+CH3COO]- 202.144861 175.4
[M+Na-2H]- 164.105676 138.9
[M]+ 143.13046142 128.5
[M]- 143.13155858 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