CID 43608567

3-[(oxan-4-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
C1COCCC1NCCCO
InChI
InChI=1S/C8H17NO2/c10-5-1-4-9-8-2-6-11-7-3-8/h8-10H,1-7H2
InChIKey
HZTDXBCIFQPDQA-UHFFFAOYSA-N
Compound name
3-(oxan-4-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

159.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 135.9
[M+Na]+ 182.11515 139.2
[M-H]- 158.11865 137.6
[M+NH4]+ 177.15975 154.1
[M+K]+ 198.08909 139.2
[M+H-H2O]+ 142.12319 129.9
[M+HCOO]- 204.12413 155.4
[M+CH3COO]- 218.13978 175.6
[M+Na-2H]- 180.10060 142.4
[M]+ 159.12538 131.9
[M]- 159.12648 131.9
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