CID 12700136

7179-89-7

Structural Information

Molecular Formula
C8H17NO
SMILES
CNCCCC1CCCO1
InChI
InChI=1S/C8H17NO/c1-9-6-2-4-8-5-3-7-10-8/h8-9H,2-7H2,1H3
InChIKey
SLKWAGFQOAXGGP-UHFFFAOYSA-N
Compound name
N-methyl-3-(oxolan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.0
[M+Na]+ 166.12023 137.7
[M-H]- 142.12373 136.3
[M+NH4]+ 161.16483 154.5
[M+K]+ 182.09417 138.1
[M+H-H2O]+ 126.12827 127.3
[M+HCOO]- 188.12921 155.9
[M+CH3COO]- 202.14486 175.9
[M+Na-2H]- 164.10568 138.7
[M]+ 143.13046 131.5
[M]- 143.13156 131.5
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